CHEBI:57394 - stearoyl-CoA(4−)

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ChEBI Name stearoyl-CoA(4−)
ChEBI ID CHEBI:57394
ChEBI ASCII Name stearoyl-CoA(4-)
Definition An acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of stearoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H66N7O17P3S
Net Charge -4
Average Mass 1029.96400
Monoisotopic Mass 1029.345
InChI InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1
InChIKey SIARJEKBADXQJG-LFZQUHGESA-J
SMILES CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing stearoyl-CoA(4−) (CHEBI:57394) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
stearoyl-CoA(4−) (CHEBI:57394) has role human metabolite (CHEBI:77746)
stearoyl-CoA(4−) (CHEBI:57394) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
stearoyl-CoA(4−) (CHEBI:57394) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
stearoyl-CoA(4−) (CHEBI:57394) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
stearoyl-CoA(4−) (CHEBI:57394) is conjugate base of stearoyl-CoA (CHEBI:15541)
Incoming stearoyl-CoA (CHEBI:15541) is conjugate acid of stearoyl-CoA(4−) (CHEBI:57394)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms Sources
octadecanoyl-CoA UniProt
stearoyl-CoA tetraanion ChEBI
stearoyl-coenzyme A tetraanion ChEBI
stearoyl-coenzyme A(4−) ChEBI
Last Modified
13 March 2017