(3E)-phytochromobilin
Chemical Formula:
C33H34N4O6
Molecular Weight:
582.655 Daltons
Monoisotopic Mass:
584.263484909 Daltons
SMILES:
CC=C1(C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)
InChI:
1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b20-7+,26-13-,27-14-,28-15-/t19-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15004
PubChem (CID):
90658972
MetaNetX:
MNXM114574