pyropheophorbide a
Chemical Formula:
C33H33N4O3
Molecular Weight:
533.649 Daltons
Monoisotopic Mass:
534.2630909785 Daltons
SMILES:
C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)[O-])C(=N1)C3(CC(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C(C)C(N=4)=CC=5N6))))))
InChI:
1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/p-1/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-10296
RefMet:
Pyropheophorbide a
ChEBI:
58742
KEGG:
C18064
Seed:
cpd18047
MetaNetX:
MNXM2556