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CHEBI:58687 - pheophorbide a(2−)

ChEBI IDCHEBI:58687
ChEBI Namepheophorbide a(2−)
Stars
ASCII Namepheophorbide a(2-)
DefinitionDianion of pheophorbide a.
Last Modified9 March 2021
DownloadsMolfile
FormulaC35H34N4O5
Net Charge-2
Average Mass590.680
Monoisotopic Mass590.25402
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)[C-]4C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]3C
InChIInChI=1S/C35H35N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39H,1,9-11H2,2-7H3,(H,40,41)/q-1/p-1/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-/m0/s1
InChIKeyUXWYEAZHZLZDGM-ZVEVZSNKSA-M
ChEBI Ontology
Outgoing Relation(s)
pheophorbide a(2−) (CHEBI:58687) is a cyclic tetrapyrrole anion (CHEBI:58941)
pheophorbide a(2−) (CHEBI:58687) is conjugate base of pheophorbide a (CHEBI:38257)
Incoming Relation(s)
pheophorbide a (CHEBI:38257) is conjugate acid of pheophorbide a(2−) (CHEBI:58687)
IUPAC Name 
3-[(3S,4S)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-21-id-3-yl]propanoate
UniProt Name  Source
pheophorbide aUniProt
Manual XrefsDatabases
CPD-7061MetaCyc