CHEBI:57386 - octanoyl-CoA(4−)

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ChEBI Name octanoyl-CoA(4−)
ChEBI ID CHEBI:57386
ChEBI ASCII Name octanoyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of octanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46N7O17P3S
Net Charge -4
Average Mass 889.69900
Monoisotopic Mass 889.188
InChI InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m1/s1
InChIKey KQMZYOXOBSXMII-CECATXLMSA-J
SMILES CCCCCCCC(=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 octanoyl-CoA(4−) (CHEBI:57386) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
octanoyl-CoA(4−) (CHEBI:57386) has role human metabolite (CHEBI:77746)
octanoyl-CoA(4−) (CHEBI:57386) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
octanoyl-CoA(4−) (CHEBI:57386) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
octanoyl-CoA(4−) (CHEBI:57386) is conjugate base of octanoyl-CoA (CHEBI:15533)
Incoming 2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290) has functional parent octanoyl-CoA(4−) (CHEBI:57386)
octanoyl-CoA (CHEBI:15533) is conjugate acid of octanoyl-CoA(4−) (CHEBI:57386)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms Sources
capryloyl-CoA tetraanion ChEBI
capryloyl-CoA(4−) ChEBI
capryloyl-coenzyme A(4−) ChEBI
octanoyl-CoA UniProt
octanoyl-CoA tetraanion ChEBI
octanoyl-coenzyme A(4−) ChEBI
Last Modified
21 January 2016