decanoyl-CoA(4-) (CHEBI:61430)

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CHEBI:61430 - decanoyl-CoA(4−)

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ChEBI ID	CHEBI:61430
ChEBI Name	decanoyl-CoA(4−)
Stars
ASCII Name	decanoyl-CoA(4-)
Definition	An acyl-CoA(4−) species arising from deprotonation of the phosphate and diphosphate OH groups of decanoyl-CoA.
Last Modified	21 January 2016
Submitter	Anne Morgat
Downloads	Molfile

Formula	C31H50N7O17P3S
Net Charge	-4
Average Mass	917.762
Monoisotopic Mass	917.22187
SMILES	CCCCCCCCCC(=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/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKey	CNKJPHSEFDPYDB-HSJNEKGZSA-J

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

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)
	decanoyl-CoA(4−) (CHEBI:61430) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	decanoyl-CoA(4−) (CHEBI:61430) has role human metabolite (CHEBI:77746)
	decanoyl-CoA(4−) (CHEBI:61430) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
	decanoyl-CoA(4−) (CHEBI:61430) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
	decanoyl-CoA(4−) (CHEBI:61430) is conjugate base of decanoyl-CoA (CHEBI:28493)
Incoming Relation(s)
	2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) has functional parent decanoyl-CoA(4−) (CHEBI:61430)
	decanoyl-CoA (CHEBI:28493) is conjugate acid of decanoyl-CoA(4−) (CHEBI:61430)

Synonyms	Source
decanoyl-CoA tetraanion	ChEBI
decanoyl-coenzyme A(4−)	SUBMITTER
decanoyl-coenzyme A tetraanion	ChEBI

UniProt Name	Source
decanoyl-CoA	UniProt

Manual Xrefs	Databases
CPD-10267	MetaCyc