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Showing metabocard for Erythro-4-hydroxy-L-glutamate(1-) (HMDB0062752)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 06:02:56 UTC
Update Date2022-03-07 03:17:59 UTC
HMDB IDHMDB0062752
Secondary Accession Numbers
  • HMDB62752
Metabolite Identification
Common NameErythro-4-hydroxy-L-glutamate(1-)
Description4-Hydroxy-L-glutamic acid, also known as 4-hydroxy-L-glutamate or erythro-L-bhga, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. 4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. 4-Hydroxy-L-glutamic acid is a very strong basic compound (based on its pKa). 4-Hydroxy-L-glutamic acid exists in all living organisms, ranging from bacteria to humans. Within humans, 4-hydroxy-L-glutamic acid participates in a number of enzymatic reactions. In particular, 4-hydroxy-L-glutamic acid can be biosynthesized from pyrroline hydroxycarboxylic acid through its interaction with the enzyme Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial. In addition, 4-hydroxy-L-glutamic acid can be converted into L-4-hydroxyglutamate semialdehyde through the action of the enzyme proline dehydrogenase 1, mitochondrial. In humans, 4-hydroxy-L-glutamic acid is involved in the metabolic disorder called hyperprolinemia type II. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827 ). The reaction can be described as: 4-Hydroxy-L-glutamic acid + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate.
Structure
Data?1563866356
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))


  Mrv1652305171806192D          

 11 10  0  0  0  0            999 V2000
    4.6184    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

HMDB0062752
     RDKit          3D
Erythro-4-hydroxy-L-glutamate(1-)
 20 19  0  0  0  0  0  0  0  0999 V2000
   -1.0513   -1.5885   -1.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2329   -0.1935   -0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691    0.5608   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9887    0.0243    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.2981    0.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.8672    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    2.1101    0.4929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.2803    0.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511    0.0091    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994   -1.0067    1.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2800    0.9595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248   -1.9314   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -2.1448   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175    0.2490   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733    0.5870   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    1.6118   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    0.1336    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -1.4694   -0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821    0.3903    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174    1.5291    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  8 19  1  0
 11 20  1  0
M  END
Download

3D SDF for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))


  Mrv1652305171806192D          

 11 10  0  0  0  0            999 V2000
    4.6184    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062752

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC(O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)

> <INCHI_KEY>
HBDWQSHEVMSFGY-UHFFFAOYSA-N

> <FORMULA>
C5H9NO5

> <MOLECULAR_WEIGHT>
163.129

> <EXACT_MASS>
163.048072394

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.24479229894592

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-hydroxypentanedioic acid

> <ALOGPS_LOGP>
-3.67

> <JCHEM_LOGP>
-4.246000214409296

> <ALOGPS_LOGS>
-0.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.6117381883773465

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6839758422188176

> <JCHEM_PKA_STRONGEST_BASIC>
9.160931011999752

> <JCHEM_POLAR_SURFACE_AREA>
120.85000000000001

> <JCHEM_REFRACTIVITY>
32.7363

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.43e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydroxyglutamic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

HMDB0062752
     RDKit          3D
Erythro-4-hydroxy-L-glutamate(1-)
 20 19  0  0  0  0  0  0  0  0999 V2000
   -1.0513   -1.5885   -1.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2329   -0.1935   -0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691    0.5608   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9887    0.0243    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.2981    0.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.8672    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    2.1101    0.4929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.2803    0.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511    0.0091    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994   -1.0067    1.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2800    0.9595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248   -1.9314   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -2.1448   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175    0.2490   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733    0.5870   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    1.6118   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    0.1336    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -1.4694   -0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821    0.3903    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174    1.5291    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  8 19  1  0
 11 20  1  0
M  END
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PDB for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  N   UNK     0       8.621   4.977   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.954   4.977   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.286   3.437   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   10                                                  
CONECT    7    6                                                            
CONECT    8    2    9   11                                                  
CONECT    9    8                                                            
CONECT   10    6                                                            
CONECT   11    8                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

COMPND    HMDB0062752
HETATM    1  N1  UNL     1      -1.051  -1.589  -1.062  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.233  -0.193  -0.778  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.069   0.561  -0.716  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.989   0.024   0.357  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.302  -1.298   0.142  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.232   0.867   0.315  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.136   2.110   0.493  1.00  0.00           O  
HETATM    8  O3  UNL     1       3.474   0.280   0.084  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.951   0.009   0.507  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.299  -1.007   1.164  1.00  0.00           O  
HETATM   11  O5  UNL     1      -2.224   1.280   0.960  1.00  0.00           O  
HETATM   12  H1  UNL     1      -1.925  -1.931  -1.530  1.00  0.00           H  
HETATM   13  H2  UNL     1      -0.946  -2.145  -0.162  1.00  0.00           H  
HETATM   14  H3  UNL     1      -1.817   0.249  -1.619  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.573   0.587  -1.693  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.170   1.612  -0.454  1.00  0.00           H  
HETATM   17  H6  UNL     1       0.475   0.134   1.325  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.403  -1.469  -0.844  1.00  0.00           H  
HETATM   19  H8  UNL     1       4.182   0.390   0.810  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.217   1.529   1.033  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3    9   14
CONECT    3    4   15   16
CONECT    4    5    6   17
CONECT    5   18
CONECT    6    7    7    8
CONECT    8   19
CONECT    9   10   10   11
CONECT   11   20
END
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SMILES for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

NC(CC(O)C(O)=O)C(O)=O
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INCHI for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
4-Hydroxy-L-glutamateGenerator
beta-HydroxyglutamateHMDB
beta-Hydroxyglutamic acidHMDB
Erythro-L-bhgaHMDB
Hydroxyglutamic acid, (DL)-isomerHMDB
Hydroxyglutamic acid, erythro-(DL)-isomerHMDB
Hydroxyglutamic acid, erythro-(L)-isomerHMDB
Hydroxyglutamic acid, sodium saltHMDB
Threo-L-bhgaHMDB
Chemical FormulaC5H9NO5
Average Molecular Weight163.129
Monoisotopic Molecular Weight163.048072394
IUPAC Name2-amino-4-hydroxypentanedioic acid
Traditional Namehydroxyglutamic acid
CAS Registry NumberNot Available
SMILES
NC(CC(O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)
InChI KeyHBDWQSHEVMSFGY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlutamic acid and derivatives
Alternative Parents
Substituents
  • Glutamic acid or derivatives
  • Alpha-amino acid
  • Amino fatty acid
  • Hydroxy fatty acid
  • Short-chain hydroxy acid
  • Alpha-hydroxy acid
  • Dicarboxylic acid or derivatives
  • Hydroxy acid
  • Fatty acid
  • Fatty acyl
  • 1,3-aminoalcohol
  • Secondary alcohol
  • Amino acid
  • Carboxylic acid
  • Primary amine
  • Primary aliphatic amine
  • Organopnictogen compound
  • Alcohol
  • Organonitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Organic oxide
  • Organic nitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 Solubility132 g/lALOGPS
LogP-2.62ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-3.7ALOGPS
logP-4.2ChemAxon
logS-0.34ALOGPS
pKa (Strongest Acidic)1.68ChemAxon
pKa (Strongest Basic)9.16ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area120.85 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity32.74 m³·mol⁻¹ChemAxon
Polarizability14.24 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+127.84830932474
DeepCCS[M-H]-124.17630932474
DeepCCS[M-2H]-161.56430932474
DeepCCS[M+Na]+136.65130932474
AllCCS[M+H]+136.632859911
AllCCS[M+H-H2O]+132.732859911
AllCCS[M+NH4]+140.332859911
AllCCS[M+Na]+141.332859911
AllCCS[M-H]-126.932859911
AllCCS[M+Na-2H]-128.632859911
AllCCS[M+HCOO]-130.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Erythro-4-hydroxy-L-glutamate(1-)NC(CC(O)C(O)=O)C(O)=O2423.7Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-)NC(CC(O)C(O)=O)C(O)=O1301.8Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-)NC(CC(O)C(O)=O)C(O)=O1841.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #1C[Si](C)(C)OC(CC(N)C(=O)O)C(=O)O1643.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #2C[Si](C)(C)OC(=O)C(O)CC(N)C(=O)O1599.1Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O1610.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #4C[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O1676.7Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C)C(=O)O1672.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(N)C(=O)O)O[Si](C)(C)C1654.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #3C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O)C(=O)O1724.4Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O[Si](C)(C)C1614.4Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #5C[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C)C(=O)O1700.4Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #6C[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O[Si](C)(C)C1693.7Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #7C[Si](C)(C)N(C(CC(O)C(=O)O)C(=O)O)[Si](C)(C)C1892.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1674.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #2C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C1740.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #3C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O1743.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #4C[Si](C)(C)OC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O1923.4Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #5C[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1699.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #6C[Si](C)(C)OC(=O)C(O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1890.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC(O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1886.2Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1765.2Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1800.2Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1849.7Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1906.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1881.8Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2017.3Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1915.7Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1872.4Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2029.8Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1881.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1848.9Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1979.3Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1958.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1924.2Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1854.0Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CC(N)C(=O)O)C(=O)O1885.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(N)C(=O)O1855.1Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O1849.1Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O1932.3Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C(C)(C)C)C(=O)O2106.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)C(=O)O)O[Si](C)(C)C(C)(C)C2098.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O2172.1Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O[Si](C)(C)C(C)(C)C2053.2Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2161.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2133.6Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(CC(O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2287.8Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2294.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2371.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2376.6Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2531.3Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2341.3Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2521.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC(O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2498.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2554.4Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2548.6Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2381.5Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2758.0Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2586.7Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2428.7Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2760.5Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2597.3Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2436.5Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2728.9Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2609.1Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2406.7Standard polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2965.1Semi standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2811.5Standard non polar33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2436.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Positive-QTOFsplash10-00kb-0900000000-ce005fc2e4492c63491a2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Positive-QTOFsplash10-0g4i-7900000000-c99dab7460465a300d8c2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Positive-QTOFsplash10-006x-9100000000-9ca5dd20ed7c29d065252019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Negative-QTOFsplash10-03di-1900000000-626615b98a6b2fb5e19d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Negative-QTOFsplash10-00di-9800000000-a6e6074af92fb098b7622019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Negative-QTOFsplash10-00di-9100000000-68bf4be7fd2ead3fcb1e2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Positive-QTOFsplash10-0gi0-3900000000-72a434ff0c346ae54bf52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Positive-QTOFsplash10-0fk9-9600000000-16a8930ac7a8ed9a86562021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Positive-QTOFsplash10-00di-9100000000-4825e58f647c6709f63e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Negative-QTOFsplash10-0006-0900000000-f33be61e6a7e963f57252021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Negative-QTOFsplash10-0079-9200000000-d4c3022fe2d2d99ba90b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Negative-QTOFsplash10-0006-9000000000-ce7c939afbade242bd222021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022938
KNApSAcK IDNot Available
Chemspider ID816
KEGG Compound IDC03079
BioCyc IDL-ERYTHRO-4-HYDROXY-GLUTAMATE
BiGG ID1447439
Wikipedia LinkNot Available
METLIN ID6586
PubChem Compound5460078
PDB IDNot Available
ChEBI ID16338
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 ReferencesNot Available