CHEBI:57338 - isobutyryl-CoA(4−)

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ChEBI Name isobutyryl-CoA(4−)
ChEBI ID CHEBI:57338
ChEBI ASCII Name isobutyryl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of isobutyryl-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 C25H38N7O17P3S
Net Charge -4
Average Mass 833.59200
Monoisotopic Mass 833.12797
InChI InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1
InChIKey AEWHYWSPVRZHCT-NDZSKPAWSA-J
SMILES CC(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 isobutyryl-CoA(4−) (CHEBI:57338) has role human metabolite (CHEBI:77746)
isobutyryl-CoA(4−) (CHEBI:57338) is a acyl-CoA(4−) (CHEBI:58342)
isobutyryl-CoA(4−) (CHEBI:57338) is conjugate base of isobutyryl-CoA (CHEBI:15479)
Incoming isobutyryl-CoA (CHEBI:15479) is conjugate acid of isobutyryl-CoA(4−) (CHEBI:57338)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}
Synonyms Sources
2-methylpropanoyl-CoA UniProt
2-methylpropanoyl-CoA(4−) ChEBI
2-methylpropionyl-CoA(4−) ChEBI
isobutyryl-CoA tetraanion ChEBI
isobutyryl-coenzyme A(4−) ChEBI
S-(2-methylpropanoyl)-coenzyme A(4−) ChEBI
Manual Xref Database
ISOBUTYRYL-COA MetaCyc
View more database links
Last Modified
19 May 2015