2-methyl-3-butenoyl-CoA
Chemical Formula:
C26H38N7O17P3S
Molecular Weight:
845.604 Daltons
Monoisotopic Mass:
849.1570731803 Daltons
SMILES:
C=CC(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
InChI:
1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-15,18-20,24,35-36H,1,6-11H2,2-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14?,15-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19033
PubChem (CID):
122706595
MetaNetX:
MNXM164149