(2E)-5-methylhexa-2,4-dienoyl-CoA
Chemical Formula:
C28H40N7O17P3S
Molecular Weight:
871.642 Daltons
Monoisotopic Mass:
875.1727232444999 Daltons
SMILES:
CC(C)=CC=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/C28H44N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5-7,14-15,17,21-23,27,38-39H,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/b7-5+/t17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12904
PubChem (CID):
50986176
KEGG:
C16468
Seed:
cpd15172
MetaNetX:
MNXM5368
ChEBI:
80511