6-methyloctanoyl-CoA
Chemical Formula:
C30H48N7O17P3S
Molecular Weight:
903.727 Daltons
Monoisotopic Mass:
907.2353235013001 Daltons
SMILES:
CCC(C)CCCCC(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
InChI:
1S/C30H52N7O17P3S/c1-5-18(2)8-6-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,23-,24-,25+,29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16447
PubChem (CID):
90659116
MetaNetX:
MNXM148678