CHEBI:28325 - (S)-3-hydroxydecanoyl-CoA

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ChEBI Name (S)-3-hydroxydecanoyl-CoA
ChEBI ID CHEBI:28325
ChEBI ASCII Name (S)-3-hydroxydecanoyl-CoA
Definition A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:418, CHEBI:18779
Supplier Information
Download Molfile XML SDF
Formula C31H54N7O18P3S
Net Charge 0
Average Mass 937.78412
Monoisotopic Mass 937.246
InChI InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26-,30+/m0/s1
InChIKey HIVSMYZAMUNFKZ-PNPVFPMQSA-N
SMILES CCCCCCC[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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxydecanoyl-CoA (CHEBI:28325) has functional parent (S)-3-hydroxydecanoic acid (CHEBI:37371)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) has functional parent decanoic acid (CHEBI:30813)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) has role human metabolite (CHEBI:77746)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) is a 3-hydroxydecanoyl-CoA (CHEBI:86338)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) is conjugate acid of (S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616)
Incoming (S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616) is conjugate base of (S)-3-hydroxydecanoyl-CoA (CHEBI:28325)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(S)-3-Hydroxydecanoyl-CoA KEGG COMPOUND
(S)-3-hydroxydecanoyl-coenzyme A ChEBI
(S)-Hydroxydecanoyl-CoA KEGG COMPOUND
3-Hydroxydecanoyl-coenzyme A ChemIDplus
3-OH 10:0-CoA ChEBI
3-OH C10:0-CoA ChEBI
β-hydroxydecanoyl coenzyme A ChEBI
β-hydroxydecanoyl-CoA ChEBI
coenzyme A S-3-hydroxydecanoate ChemIDplus
S-(3-hydroxydecanoyl)coenzyme A ChEBI
Database Links Databases
C05264 KEGG COMPOUND
CPD0-2244 MetaCyc
HMDB03938 HMDB
View more database links
Registry Number Type Source
79171-49-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15513944 PubMed citation Europe PMC
19925642 PubMed citation Europe PMC
2760034 PubMed citation Europe PMC
Last Modified
21 January 2016