3-(methylsulfanyl)propanoyl-CoA

Chemical Formula:

C₂₅H₃₈N₇O₁₇P₃S₂

Molecular Weight:

865.653 Daltons

Monoisotopic Mass:

869.1291438703 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCSC)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/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m1/s1

InChIKey:

SIEFLYWJLBNLAM-CITAKDKDSA-J

Synonyms

MMPA-CoA
3-S-methylthiopropionyl-CoA
3-methylmercaptopropionyl-CoA
3-methylmercaptopropanoyl-CoA
3-(methylthio)propionyl-CoA

Databases

MetaCyc: CPD-13546

ChEBI: 82815

PubChem (CID): 54758647

Seed: cpd23929

MetaNetX: MNXM10065

KEGG: C20870