CHEBI:38257 - pheophorbide a

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ChEBI Name pheophorbide a
ChEBI ID CHEBI:38257
ChEBI ASCII Name pheophorbide a
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C35H36N4O5
Net Charge 0
Average Mass 592.68430
Monoisotopic Mass 592.26857
InChI InChI=1S/C35H36N4O5/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/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
InChIKey NSFSLUUZQIAOOX-QEWKCGBTSA-N
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing pheophorbide a (CHEBI:38257) is a pheophorbide (CHEBI:38254)
pheophorbide a (CHEBI:38257) is conjugate acid of pheophorbide a(2−) (CHEBI:58687)
Incoming epoxypheophorbide a (CHEBI:90228) has functional parent pheophorbide a (CHEBI:38257)
pheophorbide a(2−) (CHEBI:58687) is conjugate base of pheophorbide a (CHEBI:38257)
IUPAC Name
(22R,17S,18S)-7-ethyl-21,22,17,18-tetrahydro-22-(methoxycarbonyl)-3,8,13,17-tetramethyl-21-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid
Synonyms Sources
(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid ChemIDplus
3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid IUPAC
3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid IUPAC
Phaeophorbid a ChEBI
Phäophorbid-a ChEBI
pheophorbide a JCBN
Manual Xrefs Databases
10343120 ChemSpider
C18021 KEGG COMPOUND
FDB031104 FooDB
Pheophorbide_A Wikipedia
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Registry Numbers Types Sources
1208052 Beilstein Registry Number Beilstein
15664-29-6 CAS Registry Number KEGG COMPOUND
15664-29-6 CAS Registry Number ChemIDplus
75385 Beilstein Registry Number Beilstein
Citations Types Sources
14973080 PubMed citation Europe PMC
29518390 PubMed citation Europe PMC
33625682 PubMed citation Europe PMC
7304926 PubMed citation Europe PMC
Last Modified
09 March 2021