(S)-malyl-CoA

(<i>S</i>)-malyl-CoA




Chemical Formula:
C25H35N7O20P3S
Molecular Weight:
878.568 Daltons
Monoisotopic Mass:
883.1261669823999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)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/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/p-5/t12-,13+,17+,18+,19-,23+/m0/s1
InChIKey:
HJQWLHMLMCDAEL-ZTGLTYRUSA-I

Synonyms
  • (3S)-3-carboxy-3-hydroxypropionyl-CoA
  • (3S)-3-carboxy-3-hydroxypropanoyl-CoA
  • (2S)-4-malyl-CoA
  • L-malyl-CoA
  • (2S)-malyl-CoA

Databases
MetaCyc:  CPD-208
HMDB:  HMDB01021
ChEBI:  57317
PubChem (CID):  45266554
KEGG:  C04348
Seed:  cpd02662
MetaNetX:  MNXM1611