(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466)

CHEBI:27466 - (S)-3-hydroxytetradecanoyl-CoA

ChEBI ID	CHEBI:27466
ChEBI Name	(S)-3-hydroxytetradecanoyl-CoA
Stars
ASCII Name	(S)-3-hydroxytetradecanoyl-CoA
Definition	A long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxytetradecanoic acid.
Secondary ChEBI IDs	CHEBI:400, CHEBI:18754
Last Modified	4 July 2017
Downloads	Molfile

Formula	C35H62N7O18P3S
Net Charge	0
Average Mass	993.901
Monoisotopic Mass	993.30849
SMILES	CCCCCCCCCCC[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/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30-,34+/m0/s1
InChIKey	OXBHKMHNDGRDCZ-STLSENOWSA-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
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology

Outgoing Relation(s)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has functional parent (S)-3-hydroxytetradecanoic acid (CHEBI:37374)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has functional parent myristoyl-CoA (CHEBI:15532)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has role Escherichia coli metabolite (CHEBI:76971)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has role human metabolite (CHEBI:77746)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has role mouse metabolite (CHEBI:75771)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) is a long-chain (3S)-hydroxy fatty acyl-CoA (CHEBI:137639)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) is conjugate acid of (S)-3-hydroxytetradecanoyl-CoA(4−) (CHEBI:62614)
Incoming Relation(s)
Incoming Relation(s)	(S)-3-hydroxytetradecanoyl-CoA(4−) (CHEBI:62614) is conjugate base of (S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonym	Source
(S)-3-Hydroxytetradecanoyl-CoA	KEGG COMPOUND

Manual Xrefs	Databases
C05260	KEGG COMPOUND