(2R,3S)-β-methylmalyl-CoA

Chemical Formula:

C₂₆H₃₇N₇O₂₀P₃S

Molecular Weight:

892.594 Daltons

Monoisotopic Mass:

897.1418170466 Daltons

SMILES:

CC(C(C(=O)[O-])O)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/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t12-,13-,16+,17-,18-,19+,23-/m1/s1

InChIKey:

OTENCPQKSBPYCM-GQCNFOOOSA-I

Synonyms

erythro-β-methylmalyl-CoA

Databases

MetaCyc: CPD-9409

PubChem (CID): 90659337

ChEBI: 75634

KEGG: C06027

MetaNetX: MNXM5993