CHEBI:58687 - pheophorbide a(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophorbide a(2−)
ChEBI ID CHEBI:58687
ChEBI ASCII Name pheophorbide a(2-)
Definition Dianion of pheophorbide a.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H34N4O5
Net Charge -2
Average Mass 590.66830
Monoisotopic Mass 590.253
InChI InChI=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
InChIKey UXWYEAZHZLZDGM-ZVEVZSNKSA-M
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC([O-])=O)[C@@H]4C)c4[c-](C(=O)OC)c(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing 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 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
Synonym Source
pheophorbide a UniProt
Last Modified
20 October 2014