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

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

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ChEBI ID	CHEBI:28325
ChEBI Name	(S)-3-hydroxydecanoyl-CoA
Stars
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.
Secondary ChEBI IDs	CHEBI:418, CHEBI:18779
Last Modified	21 January 2016
Downloads	Molfile

Formula	C31H54N7O18P3S
Net Charge	0
Average Mass	937.793
Monoisotopic Mass	937.24589
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology

Outgoing Relation(s)
	(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 Relation(s)
Incoming Relation(s)	(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	Source
(S)-Hydroxydecanoyl-CoA	KEGG COMPOUND
(S)-3-Hydroxydecanoyl-CoA	KEGG COMPOUND
3-Hydroxydecanoyl-coenzyme A	ChemIDplus
3-OH 10:0-CoA	ChEBI
3-OH C10:0-CoA	ChEBI
(S)-3-hydroxydecanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C05264	KEGG COMPOUND
HMDB0003938	HMDB
CPD0-2244	MetaCyc

Registry Numbers	Sources
CAS:79171-49-6	ChemIDplus

Citations