lauroyl-CoA(4-) (CHEBI:57375)

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CHEBI:57375 - lauroyl-CoA(4−)

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ChEBI ID	CHEBI:57375
ChEBI Name	lauroyl-CoA(4−)
Stars
ASCII Name	lauroyl-CoA(4-)
Definition	An acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate functions of lauroyl-CoA; major species at pH 7.3.
Last Modified	9 June 2021
Downloads	Molfile

Formula	C33H54N7O17P3S
Net Charge	-4
Average Mass	945.816
Monoisotopic Mass	945.25317
SMILES	CCCCCCCCCCCC(=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/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1
InChIKey	YMCXGHLSVALICC-GMHMEAMDSA-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:

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).

ChEBI Ontology

Outgoing Relation(s)
	lauroyl-CoA(4−) (CHEBI:57375) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	lauroyl-CoA(4−) (CHEBI:57375) has role human metabolite (CHEBI:77746)
	lauroyl-CoA(4−) (CHEBI:57375) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
	lauroyl-CoA(4−) (CHEBI:57375) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
	lauroyl-CoA(4−) (CHEBI:57375) is conjugate base of lauroyl-CoA (CHEBI:15521)
Incoming Relation(s)
	2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) has functional parent lauroyl-CoA(4−) (CHEBI:57375)
	lauroyl-CoA (CHEBI:15521) is conjugate acid of lauroyl-CoA(4−) (CHEBI:57375)

IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)

Synonyms	Source
dodecanoyl-coenzyme A(4-)	ChEBI
dodecanoyl-CoA(4-)	ChEBI
lauroyl-CoA tetraanion	ChEBI
lauroyl-coenzyme A(4−)	ChEBI

UniProt Name	Source
dodecanoyl-CoA	UniProt

Manual Xrefs	Databases
LAUROYLCOA-CPD	MetaCyc