(3R)-3-isopropenyl-6-oxoheptanoyl-CoA
Chemical Formula:
C31H46N7O18P3S
Molecular Weight:
929.722 Daltons
Monoisotopic Mass:
933.2145880592001 Daltons
SMILES:
C=C(C)C(CCC(C)=O)CC(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/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-10054
ChEBI:
29004
PubChem (CID):
90658916
KEGG:
C11407
Seed:
cpd08261
MetaNetX:
MNXM13558