CHEBI:74451 - (R)-3-hydroxylauroyl-CoA

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ChEBI Name (R)-3-hydroxylauroyl-CoA
ChEBI ID CHEBI:74451
ChEBI ASCII Name (R)-3-hydroxylauroyl-CoA
Definition A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxydodecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB75477611, ChemicalBook:CB1687589, eMolecules:494761, eMolecules:29549880, Selleckchem:Estriol(Oestriol), ZINC000003815418
Download Molfile XML SDF
Formula C33H58N7O18P3S
Net Charge 0
Average Mass 965.83600
Monoisotopic Mass 965.27719
InChI InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22-,26-,27-,28+,32-/m1/s1
InChIKey IJFLXRCJWPKGKJ-IGYWURMESA-N
SMILES CCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)-3-hydroxylauroyl-CoA (CHEBI:74451) has functional parent (R)-3-hydroxylauric acid (CHEBI:43197)
(R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(R)-3-hydroxylauroyl-CoA (CHEBI:74451) is conjugate acid of (R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276)
Incoming (R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is conjugate base of (R)-3-hydroxylauroyl-CoA (CHEBI:74451)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(R)-3-hydroxydodecanoyl-CoA ChEBI
(R)-3-hydroxydodecanoyl-coenzyme A ChEBI
(R)-3-hydroxylauroyl-coenzyme A ChEBI
Manual Xref Database
CPD-14918 MetaCyc
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Last Modified
02 July 2013