Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-09 20:53:07 UTC
Update Date2022-03-07 03:17:38 UTC
HMDB IDHMDB0060080
Secondary Accession Numbers
  • HMDB60080
Metabolite Identification
Common NameThyrotropin releasing hormone
DescriptionThyrotropin releasing hormone, also known as TRH or protirelin, belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thyrotropin releasing hormone is a very strong basic compound (based on its pKa).
Structure
Data?1563866013
Synonyms
ValueSource
L-Pyroglutamyl-L-histidyl-L-prolineamideChEBI
ThyroliberinChEBI
Thyrotropic releasing hormoneChEBI
Thyrotropic-releasing factorChEBI
Thyrotropin-releasing factorChEBI
TRHChEBI
TSH-Releasing factorChEBI
TSH-Releasing hormoneChEBI
ProtirelinKegg
Relefact TRHKegg
Abbott brand OF protirelinHMDB
Abbott-38579HMDB
AntepanHMDB
Aventis brand OF protirelinHMDB
Novartis brand OF protirelinHMDB
Proterelin tartrateHMDB
Proterelin tartrate hydrateHMDB
Protirelin abbott brandHMDB
Protirelin aventis brandHMDB
Stimu TSHHMDB
Tartrate hydrate, proterelinHMDB
ThypinoneHMDB
Abbott 38579HMDB
Protirelin tartrate (1:1)HMDB
TRH FerringHMDB
TRH PremHMDB
Thyrotropin-releasing hormoneHMDB
Thyrotropin-releasing hormone tartrateHMDB
Abbott38579HMDB
Ferring brand OF protirelinHMDB
Henning berlin brand OF protirelinHMDB
Hydrate, proterelin tartrateHMDB
Merck brand OF protirelinHMDB
Prem, TRHHMDB
Protirelin ferring brandHMDB
Protirelin merck brandHMDB
Stimu-TSHHMDB
Thyroliberin TRH merckHMDB
Thyrotropin releasing factorHMDB
Protirelin novartis brandHMDB
StimuTSHHMDB
TRH, RelefactHMDB
Thyrotropin releasing hormone tartrateHMDB
Thyrotropin releasing hormoneChEBI
Chemical FormulaC16H22N6O4
Average Molecular Weight362.3837
Monoisotopic Molecular Weight362.170253222
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Traditional Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CAS Registry NumberNot Available
SMILES
[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O
InChI Identifier
InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
InChI KeyXNSAINXGIQZQOO-SRVKXCTJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassEstrane steroids
Direct ParentEstrogens and derivatives
Alternative Parents
Substituents
  • Estrogen-skeleton
  • 3-oxosteroid
  • Hydroxysteroid
  • Oxosteroid
  • 17-hydroxysteroid
  • 2-oxosteroid
  • Cyclic alcohol
  • Cyclic ketone
  • Ketone
  • Secondary alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available185.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00001776
[M+H]+Not Available180.1http://allccs.zhulab.cn/database/detail?ID=AllCCS00001776
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.12 g/LALOGPS
logP-2.3ALOGPS
logP-3.3ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)11.15ChemAxon
pKa (Strongest Basic)6.74ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area150.28 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity89.76 m³·mol⁻¹ChemAxon
Polarizability35.13 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+183.531661259
DarkChem[M-H]-181.08531661259
DeepCCS[M+H]+172.01830932474
DeepCCS[M-H]-169.62330932474
DeepCCS[M-2H]-202.78530932474
DeepCCS[M+Na]+177.93130932474
AllCCS[M+H]+183.132859911
AllCCS[M+H-H2O]+180.432859911
AllCCS[M+NH4]+185.532859911
AllCCS[M+Na]+186.232859911
AllCCS[M-H]-182.432859911
AllCCS[M+Na-2H]-182.232859911
AllCCS[M+HCOO]-182.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Thyrotropin releasing hormone[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O3952.7Standard polar33892256
Thyrotropin releasing hormone[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O3687.2Standard non polar33892256
Thyrotropin releasing hormone[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O3969.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Thyrotropin releasing hormone,1TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N13467.9Semi standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N13393.8Standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N16029.4Standard polar33892256
Thyrotropin releasing hormone,1TMS,isomer #2C[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O3558.1Semi standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #2C[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O3318.2Standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #2C[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O6194.5Standard polar33892256
Thyrotropin releasing hormone,1TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3440.9Semi standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3229.8Standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O6112.7Standard polar33892256
Thyrotropin releasing hormone,1TMS,isomer #4C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3298.5Semi standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #4C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3264.3Standard non polar33892256
Thyrotropin releasing hormone,1TMS,isomer #4C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O5947.7Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3477.3Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3446.9Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C5632.1Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N13560.7Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N13359.7Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N15757.5Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3424.4Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3322.4Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C5625.1Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C3284.8Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C3370.2Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C5401.0Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3525.6Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3289.4Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O5837.5Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #6C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3396.4Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #6C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3300.3Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #6C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O5718.4Standard polar33892256
Thyrotropin releasing hormone,2TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3196.2Semi standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3206.6Standard non polar33892256
Thyrotropin releasing hormone,2TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C5650.5Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3585.5Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3456.7Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C5272.6Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #2C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3396.9Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #2C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3389.3Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #2C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C5143.8Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3313.6Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3439.9Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4960.1Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3498.3Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C3371.5Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C5274.2Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C3407.0Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C3391.7Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C5072.9Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #6C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C3223.7Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #6C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C3325.2Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #6C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C4925.6Standard polar33892256
Thyrotropin releasing hormone,3TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3338.9Semi standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3305.1Standard non polar33892256
Thyrotropin releasing hormone,3TMS,isomer #7C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C5359.4Standard polar33892256
Thyrotropin releasing hormone,4TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3530.9Semi standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3461.9Standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #1C[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4794.5Standard polar33892256
Thyrotropin releasing hormone,4TMS,isomer #2C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3455.6Semi standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #2C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C3495.0Standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #2C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4617.6Standard polar33892256
Thyrotropin releasing hormone,4TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3291.0Semi standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3406.4Standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #3C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4418.5Standard polar33892256
Thyrotropin releasing hormone,4TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C3362.9Semi standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C3408.2Standard non polar33892256
Thyrotropin releasing hormone,4TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C4585.4Standard polar33892256
Thyrotropin releasing hormone,5TMS,isomer #1C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3452.6Semi standard non polar33892256
Thyrotropin releasing hormone,5TMS,isomer #1C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3506.5Standard non polar33892256
Thyrotropin releasing hormone,5TMS,isomer #1C[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4171.1Standard polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N13697.5Semi standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N13579.5Standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N15898.6Standard polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O3798.1Semi standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O3520.8Standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O6126.9Standard polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3659.0Semi standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3441.4Standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O6000.9Standard polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3580.7Semi standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O3469.6Standard non polar33892256
Thyrotropin releasing hormone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O5869.3Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3880.8Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3792.1Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C5471.5Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N14021.8Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N13739.1Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N15531.9Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3852.1Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3669.7Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C5406.9Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C3763.3Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C3711.9Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C5214.6Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3980.3Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3678.9Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O5642.7Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3882.9Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O3697.1Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O5528.9Standard polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C3702.8Semi standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C3581.7Standard non polar33892256
Thyrotropin releasing hormone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C5472.4Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C4219.5Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3989.0Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C5059.7Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4070.3Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3868.1Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4934.7Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3978.3Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3916.6Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4773.1Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C4167.0Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C3901.0Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C(C)(C)C5037.8Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C4070.2Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C3926.5Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C4864.5Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3872.1Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3806.5Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4765.6Standard polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C4020.7Semi standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C3854.1Standard non polar33892256
Thyrotropin releasing hormone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C5161.4Standard polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4389.9Semi standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4122.5Standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4669.3Standard polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4308.1Semi standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4159.4Standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4535.2Standard polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4153.2Semi standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4024.8Standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)CC[C@H]1C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4388.4Standard polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4187.5Semi standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4069.9Standard non polar33892256
Thyrotropin releasing hormone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4540.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Thyrotropin releasing hormone GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9132000000-49fa8da4e6762d4089972017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Thyrotropin releasing hormone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Thyrotropin releasing hormone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Negative-QTOFsplash10-0ika-0196000000-afe7149844b51b017ffe2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Negative-QTOFsplash10-0uxr-2890000000-b54b008a540dfef605742021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Negative-QTOFsplash10-06e9-4900000000-ee9272d8925098115bfd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 35V, Negative-QTOFsplash10-0uxr-1980000000-71c7b1b1167912a394e42021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Positive-QTOFsplash10-03di-0229000000-07452232680491a343702021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Positive-QTOFsplash10-03k9-4910000000-36df0cdebfe4ff6da0c52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Positive-QTOFsplash10-00xs-0590000000-a869c0d113c010b718fa2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Positive-QTOFsplash10-03di-4900000000-4508511e6a002d601f082021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 35V, Positive-QTOFsplash10-00xs-1690000000-48f23b21f382fe83e1ec2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Positive-QTOFsplash10-03k9-7900000000-c0fe7f08cbc139f31fc52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Positive-QTOFsplash10-02mj-1794000000-14f46bfee6df7d4a5a002021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Positive-QTOFsplash10-0229-3960000000-af2ed02667f34a7fcac62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Positive-QTOFsplash10-03di-0139000000-3e36ea4f46eaffc554952021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Positive-QTOFsplash10-00xs-0790000000-099b2f8d353b67c2e8832021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Positive-QTOFsplash10-0ika-2369000000-319ede954f3ced479d6e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Positive-QTOFsplash10-001i-9582000000-bdc5d7fba5104a9bcfe82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Positive-QTOFsplash10-00lr-9400000000-32c92be7b84a0dc3663b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Negative-QTOFsplash10-03di-1129000000-e58ba2209f3459479f642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Negative-QTOFsplash10-03di-6968000000-2fff001bc2b3c86f57d82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Negative-QTOFsplash10-0006-9411000000-a08e549b33f1b6a810632016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Positive-QTOFsplash10-03di-0009000000-696431d5c8a5cf963eca2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Positive-QTOFsplash10-044i-4439000000-6797de0104dd10461c612021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 40V, Positive-QTOFsplash10-03dj-9812000000-16c08d58395f971c0c3e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 10V, Negative-QTOFsplash10-03di-0019000000-f097eb2b9e44187f9db32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Thyrotropin releasing hormone 20V, Negative-QTOFsplash10-0006-9762000000-3dbee1b2272386f8656e2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB09421
Phenol Explorer Compound IDNot Available
FooDB IDFDB023753
KNApSAcK IDNot Available
Chemspider ID554166
KEGG Compound IDC03958
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkProtirelin
METLIN IDNot Available
PubChem Compound638678
PDB IDNot Available
ChEBI ID35940
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]