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CHEBI:38257 - pheophorbide a

ChEBI IDCHEBI:38257
ChEBI Namepheophorbide a
Stars
ASCII Namepheophorbide a
Last Modified9 March 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H36N4O5
Net Charge0
Average Mass592.696
Monoisotopic Mass592.26857
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C
InChIInChI=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
InChIKeyNSFSLUUZQIAOOX-QEWKCGBTSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
pheophorbide a (CHEBI:38257) is a pheophorbide (CHEBI:38254)
pheophorbide a (CHEBI:38257) is conjugate acid of pheophorbide a(2−) (CHEBI:58687)
Incoming Relation(s)
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  Source
pheophorbide aJCBN
3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acidIUPAC
(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acidChemIDplus
Phäophorbid-aChEBI
Phaeophorbid aChEBI
3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acidIUPAC
Manual XrefsDatabases
C18021KEGG COMPOUND
Pheophorbide_AWikipedia
10343120ChemSpider
FDB031104FooDB
Registry NumbersSources
Beilstein:75385Beilstein
Beilstein:1208052Beilstein
CAS:15664-29-6ChemIDplus
CAS:15664-29-6KEGG COMPOUND
Citations