CHEBI:57336 - 2-methylbutanoyl-CoA(4−)

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ChEBI Name 2-methylbutanoyl-CoA(4−)
ChEBI ID CHEBI:57336
ChEBI ASCII Name 2-methylbutanoyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of 2-methylbutanoyl-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 C26H40N7O17P3S
Net Charge -4
Average Mass 847.61900
Monoisotopic Mass 847.141
InChI InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14?,15-,18-,19-,20+,24-/m1/s1
InChIKey LYNVNYDEQMMNMZ-XGXNYEOVSA-J
SMILES CCC(C)C(=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
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-methylbutanoyl-CoA(4−) (CHEBI:57336) has role human metabolite (CHEBI:77746)
2-methylbutanoyl-CoA(4−) (CHEBI:57336) is a acyl-CoA(4−) (CHEBI:58342)
2-methylbutanoyl-CoA(4−) (CHEBI:57336) is conjugate base of 2-methylbutanoyl-CoA (CHEBI:15477)
Incoming (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166) is a 2-methylbutanoyl-CoA(4−) (CHEBI:57336)
2-methylbutanoyl-CoA (CHEBI:15477) is conjugate acid of 2-methylbutanoyl-CoA(4−) (CHEBI:57336)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate}
Synonyms Sources
2-methylbutanoyl-CoA UniProt
2-methylbutanoyl-CoA tetraanion ChEBI
2-methylbutanoyl-coenzyme A(4−) ChEBI
2-methylbutyryl-CoA(4−) ChEBI
Last Modified
05 November 2015