(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402)

CHEBI:27402 - (S)-3-hydroxypalmitoyl-CoA

ChEBI ID	CHEBI:27402
ChEBI Name	(S)-3-hydroxypalmitoyl-CoA
Stars
ASCII Name	(S)-3-hydroxypalmitoyl-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-hydroxypalmitic acid.
Secondary ChEBI IDs	CHEBI:397, CHEBI:18752
Last Modified	4 July 2017
Downloads	Molfile

Formula	C37H66N7O18P3S
Net Charge	0
Average Mass	1021.955
Monoisotopic Mass	1021.33979
SMILES	CCCCCCCCCCCCC[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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32-,36+/m0/s1
InChIKey	DEHLMTDDPWDRDR-BCIKBWLNSA-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.

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).

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

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

ChEBI Ontology

Outgoing Relation(s)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has functional parent (S)-3-hydroxypalmitic acid (CHEBI:37250)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has functional parent palmitoyl-CoA (CHEBI:15525)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role Escherichia coli metabolite (CHEBI:76971)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role human metabolite (CHEBI:77746)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role mouse metabolite (CHEBI:75771)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is a long-chain (3S)-hydroxy fatty acyl-CoA (CHEBI:137639)
	(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is conjugate acid of (S)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:62613)
Incoming Relation(s)
Incoming Relation(s)	(S)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:62613) is conjugate base of (S)-3-hydroxypalmitoyl-CoA (CHEBI:27402)

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

Synonyms	Source
(S)-3-Hydroxyhexadecanoyl-CoA	KEGG COMPOUND
(S)-3-hydroxyhexadecanoyl-coenzyme A	ChEBI
(S)-3-hydroxypalmitoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C05258	KEGG COMPOUND