5-methyl-3-oxo-4-hexenoyl-CoA
Chemical Formula:
C28H40N7O18P3S
Molecular Weight:
887.641 Daltons
Monoisotopic Mass:
891.1676378666 Daltons
SMILES:
CC(C)=CC(=O)CC(=O)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-]
InChI:
1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12906
HMDB:
HMDB60399
PubChem (CID):
50986120
KEGG:
C16471
Seed:
cpd15175
MetaNetX:
MNXM5558
ChEBI:
80514