(2S)-ethylmalonyl-CoA

Chemical Formula:

C₂₆H₃₇N₇O₁₉P₃S

Molecular Weight:

876.595 Daltons

Monoisotopic Mass:

881.1469024244999 Daltons

SMILES:

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

InChI:

1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,17+,18+,19-,23+/m0/s1

InChIKey:

VUGZQVCBBBEZQE-UQCJFRAESA-I

Synonyms

(S)-ethylmalonyl-CoA

Databases

MetaCyc: CPD-9406

PubChem (CID): 49852423

ChEBI: 60909

Seed: cpd18009

HMDB: HMDB59619

MetaNetX: MNXM2043

KEGG: C18026