CHEBI:50577 - (S)-3-hydroxyoctadecanoyl-CoA

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ChEBI Name (S)-3-hydroxyoctadecanoyl-CoA
ChEBI ID CHEBI:50577
ChEBI ASCII Name (S)-3-hydroxyoctadecanoyl-CoA
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H70N7O18P3S
Net Charge 0
Average Mass 1049.99676
Monoisotopic Mass 1049.371
InChI InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27-,28+,32+,33+,34-,38+/m0/s1
InChIKey WZMAIEGYXCOYSH-SFKGBVSGSA-N
SMILES CCCCCCCCCCCCCCC[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 )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via 3-hydroxyoctadecanoyl-CoA )
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via 3-hydroxyoctadecanoyl-CoA )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3-hydroxyoctadecanoyl-CoA )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 3-hydroxyoctadecanoyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577) has functional parent (S)-3-hydroxyoctadecanoic acid (CHEBI:50579)
(S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577) is a 3-hydroxyoctadecanoyl-CoA (CHEBI:50583)
(S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577) is conjugate acid of (3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561)
Incoming (3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561) is conjugate base of (S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
(S)-3-hydroxystearoyl-CoA ChEBI
Last Modified
03 September 2015