3-oxodecanoyl-CoA (CHEBI:28528)

CHEBI:28528 - 3-oxodecanoyl-CoA

ChEBI ID	CHEBI:28528
ChEBI Name	3-oxodecanoyl-CoA
Stars
Definition	An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid.
Secondary ChEBI IDs	CHEBI:1633, CHEBI:20166
Last Modified	27 January 2016
Downloads	Molfile

Formula	C31H52N7O18P3S
Net Charge	0
Average Mass	935.777
Monoisotopic Mass	935.23024
SMILES	CCCCCCCC(=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/C31H52N7O18P3S/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/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1
InChIKey	AZCVXMAPLHSIKY-HSJNEKGZSA-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)
	3-oxodecanoyl-CoA (CHEBI:28528) has functional parent 3-oxodecanoic acid (CHEBI:37157)
	3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493)
	3-oxodecanoyl-CoA (CHEBI:28528) has role Escherichia coli metabolite (CHEBI:76971)
	3-oxodecanoyl-CoA (CHEBI:28528) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	3-oxodecanoyl-CoA (CHEBI:28528) has role human metabolite (CHEBI:77746)
	3-oxodecanoyl-CoA (CHEBI:28528) has role mouse metabolite (CHEBI:75771)
	3-oxodecanoyl-CoA (CHEBI:28528) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
	3-oxodecanoyl-CoA (CHEBI:28528) is conjugate acid of 3-oxodecanoyl-CoA(4−) (CHEBI:62548)
Incoming Relation(s)
Incoming Relation(s)	3-oxodecanoyl-CoA(4−) (CHEBI:62548) is conjugate base of 3-oxodecanoyl-CoA (CHEBI:28528)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}

Citations