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CHEBI:15477 - 2-methylbutanoyl-CoA

ChEBI IDCHEBI:15477
ChEBI Name2-methylbutanoyl-CoA
Stars
DefinitionA short-chain, methyl-branched fatty acyl-CoA having 2-methylbutanoyl as the S-acyl group.
Secondary ChEBI IDsCHEBI:1201, CHEBI:11616, CHEBI:19693
Last Modified5 November 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H44N7O17P3S
Net Charge0
Average Mass851.659
Monoisotopic Mass851.17272
SMILESCCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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)/t14?,15-,18-,19-,20+,24-/m1/s1
InChIKeyLYNVNYDEQMMNMZ-XGXNYEOVSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-methylbutanoyl-CoA (CHEBI:15477) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-methylbutanoyl-CoA (CHEBI:15477) has functional parent coenzyme A (CHEBI:15346)
2-methylbutanoyl-CoA (CHEBI:15477) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
2-methylbutanoyl-CoA (CHEBI:15477) is a short-chain fatty acyl-CoA (CHEBI:61905)
2-methylbutanoyl-CoA (CHEBI:15477) is conjugate acid of 2-methylbutanoyl-CoA(4−) (CHEBI:57336)
Incoming Relation(s)
(S)-2-methylbutanoyl-CoA (CHEBI:90222) is a 2-methylbutanoyl-CoA (CHEBI:15477)
2-methylbutanoyl-CoA(4−) (CHEBI:57336) is conjugate base of 2-methylbutanoyl-CoA (CHEBI:15477)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-Methylbutanoyl-CoAKEGG COMPOUND
2-Methylbutyryl-CoAKEGG COMPOUND
S-(2-methylbutanoyl)-CoAChEBI
2-methylbutyryl-coenzyme AChEBI
2-methylbutanoyl-coenzyme AChEBI
Manual XrefsDatabases
C01033KEGG COMPOUND
2-METHYL-BUTYRYL-COAMetaCyc
HMDB0001041HMDB
Citations