2-methylbutanoyl-CoA

Chemical Formula:

C₂₆H₄₀N₇O₁₇P₃S

Molecular Weight:

847.62 Daltons

Monoisotopic Mass:

851.1727232444999 Daltons

SMILES:

CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

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

Synonyms

S-2-methyl-butyryl-CoA
2-methylbutyryl-CoA
α-methylbutyryl-CoA
α-methylbutanoyl-CoA

Databases

MetaCyc: 2-METHYL-BUTYRYL-COA

RefMet: 2-methylbutanoyl-CoA

ChEBI: 57336

PubChem (CID): 45266569

HMDB: HMDB01041

KEGG: C01033

Reactome: 70718

Seed: cpd00760

MetaNetX: MNXM569