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CHEBI:38258 - pheophorbide b

ChEBI IDCHEBI:38258
ChEBI Namepheophorbide b
Stars
ASCII Namepheophorbide b
Last Modified6 January 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H34N4O6
Net Charge0
Average Mass606.679
Monoisotopic Mass606.24783
SMILES[H]C(=O)C1=C(CC)c2cc3nc4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4nc(cc1n2)c(C=C)c4C)[C@@H](C)[C@@H]3CCC(=O)O
InChIInChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-/t16-,20-,31+/m0/s1
InChIKeyPROPHBCDMQAJMH-HSJXTSEBSA-N
ChEBI Ontology
Outgoing Relation(s)
pheophorbide b (CHEBI:38258) is a pheophorbide (CHEBI:38254)
IUPAC Name 
(22R,17S,18S)-7-ethyl-8-formyl-21,22,17,18-tetrahydro-22-(methoxycarbonyl)-3,13,17-trimethyl-21-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid
Synonyms  Source
pheophorbide bJCBN
3-[(3S,4S,21R)-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acidIUPAC
(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acidChemIDplus
(3S-(3α,4β,21β))-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acidChemIDplus
Phäophorbid-bChEBI
Phaeophorbid bChEBI
Registry NumbersSources
Beilstein:75945Beilstein
Beilstein:1208232Beilstein
CAS:20239-99-0ChemIDplus