C-132-carboxypyropheophorbide a

C-13<sup>2</sup>-carboxypyropheophorbide <i>a</i>




Chemical Formula:
C34H33N4O5
Molecular Weight:
577.658 Daltons
Monoisotopic Mass:
578.2529202227 Daltons
SMILES:
C=CC6(C(C)=C2(NC(C=C5(C(C)=C(CC)C(C=C1(NC4(C(=C(C)1)C(=O)C(C(O)=O)C(C3(=NC(=C2)C(C3CCC(=O)[O-])C))=4)))=N5))=6))
InChI:
1S/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/p-1/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1
InChIKey:
HSGTVFFMFUJNOZ-NFFVJZDFSA-M

Synonyms
  • (3S,4S,21R)-3-(2-carboxyethyl)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-21-carboxylic acid
  • 3-phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
  • C-13(2)-carboxylpyropheophorbide a
  • C-13(2)-carboxypyropheophorbide a

Databases
MetaCyc:  CPD-14963
PubChem (CID):  90658922 136630931
KEGG:  C18063
ChEBI:  48399
Seed:  cpd18046
MetaNetX:  MNXM2908