cis-3,4-dehydroadipyl-CoA
Chemical Formula:
C27H37N7O19P3S
Molecular Weight:
888.606 Daltons
Monoisotopic Mass:
893.1469024244999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC=CCC([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/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b4-3-/t15-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CIS-34-DEHYDROADIPYL-COA
ChEBI:
58786
PubChem (CID):
45266767
Seed:
cpd20930
MetaNetX:
MNXM2649
KEGG:
C19682