(S)-3-hydroxylauroyl-CoA (CHEBI:27668)

CHEBI:27668 - (S)-3-hydroxylauroyl-CoA

ChEBI ID	CHEBI:27668
ChEBI Name	(S)-3-hydroxylauroyl-CoA
Stars
ASCII Name	(S)-3-hydroxylauroyl-CoA
Definition	A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxydodecanoic acid.
Secondary ChEBI IDs	CHEBI:396, CHEBI:18751
Last Modified	27 January 2016
Downloads	Molfile

Formula	C33H58N7O18P3S
Net Charge	0
Average Mass	965.847
Monoisotopic Mass	965.27719
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
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+/m0/s1
InChIKey	IJFLXRCJWPKGKJ-LXIXEQKWSA-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).

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

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

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

ChEBI Ontology

Outgoing Relation(s)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has functional parent (S)-3-hydroxylauric acid (CHEBI:36210)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has functional parent lauroyl-CoA (CHEBI:15521)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role Escherichia coli metabolite (CHEBI:76971)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role human metabolite (CHEBI:77746)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role mouse metabolite (CHEBI:75771)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a medium-chain fatty acyl-CoA (CHEBI:61907)
	(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is conjugate acid of (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558)
Incoming Relation(s)
Incoming Relation(s)	(S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is conjugate base of (S)-3-hydroxylauroyl-CoA (CHEBI:27668)

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

Synonyms	Source
(S)-3-Hydroxydodecanoyl-CoA	KEGG COMPOUND
(S)-3-hydroxydodecanoyl-coenzyme A	ChEBI
(S)-3-hydroxylauroyl-coenzyme A	ChEBI