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 A short chain fatty 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 No supplier information found for this compound.
Download Molfile XML SDF
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 methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isobutyryl-CoA(4−) (CHEBI:57338) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
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
08 November 2021