bacteriopheophytin a
Chemical Formula:
C55H75N4O6
Molecular Weight:
888.221 Daltons
Monoisotopic Mass:
888.576486193 Daltons
SMILES:
CCC5(C4(=CC6(=C(C)C1(=C(C([C-](C(=O)OC)C(=O)1)=C2(C(CCC(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=O)C(C)C(=N2)C=C3(C(C)=C(C(C)=O)C(N3)=CC(=N4)C(C)5)))N6))))
InChI:
1S/C55H75N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,57,59H,13-24,26H2,1-12H3/q-1/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34?,35+,39?,40+/m1/s1
InChIKey:
Synonyms
- bacteriophaeophytin a
Databases
MetaCyc:
CPD-9096
ChEBI:
41213
MetaNetX:
MNXM43262
KEGG:
C05798