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CHEBI:48399 - 132-carboxypyropheophorbide a

ChEBI IDCHEBI:48399
ChEBI Name132-carboxypyropheophorbide a
Stars
ASCII Name13(2)-carboxypyropheophorbide a
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC34H34N4O5
Net Charge0
Average Mass578.669
Monoisotopic Mass578.25292
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
InChIInChI=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)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1
InChIKeyHSGTVFFMFUJNOZ-NFFVJZDFSA-N
ChEBI Ontology
Outgoing Relation(s)
132-carboxypyropheophorbide a (CHEBI:48399) is a pheophorbide (CHEBI:38254)
132-carboxypyropheophorbide a (CHEBI:48399) is conjugate acid of 132-carboxypyropheophorbide a(2−) (CHEBI:58743)
Incoming Relation(s)
132-carboxypyropheophorbide a(2−) (CHEBI:58743) is conjugate base of 132-carboxypyropheophorbide a (CHEBI:48399)
Synonyms  Source
(3S,4S,21R)-3-(2-carboxyethyl)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-21-carboxylic acidIUPAC
C-132-Carboxylpyropheophorbide aKEGG COMPOUND
Manual XrefsDatabases
C18063KEGG COMPOUND
Registry NumbersSources
Beilstein:10051785Beilstein