(S)-methylmalonyl-CoA

Chemical Formula:

C₂₅H₃₅N₇O₁₉P₃S

Molecular Weight:

862.568 Daltons

Monoisotopic Mass:

867.1312523603 Daltons

SMILES:

CC(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-])C([O-])=O

InChI:

1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12-,13+,16+,17+,18-,22+/m0/s1

InChIKey:

MZFOKIKEPGUZEN-IBNUZSNCSA-I

Synonyms

D-methylmalonyl-CoA
methyl-malonyl-coenzyme A
CH3-malonyl-CoA
(2S)-methyl-malonyl-CoA

Databases

MetaCyc: D-METHYL-MALONYL-COA

BiGG: mmcoa__S

PubChem (CID): 45266561

MetaboLights: MTBLC57327

HMDB: HMDB01269

ChEBI: 57327 15466

KEGG: C00683

CAS: 104809-02-1

Reactome: 71019

MetaNetX: MNXM89955

NIKKAJI: J921.435F

LIPID MAPS: LMFA07050164

PupChem (SID): 3952