CHEBI:38258 - pheophorbide b

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophorbide b
ChEBI ID CHEBI:38258
ChEBI ASCII Name pheophorbide b
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 C35H34N4O6
Net Charge 0
Average Mass 606.66782
Monoisotopic Mass 606.24783
InChI InChI=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
InChIKey PROPHBCDMQAJMH-HSJXTSEBSA-N
SMILES [H]C(=O)c1c(CC)c2cc3[nH]c4c([C@@H](C(=O)OC)C(=O)c4c3C)c3nc(cc4[nH]c(cc1n2)c(C=C)c4C)[C@@H](C)[C@@H]3CCC(O)=O
ChEBI Ontology
Outgoing 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 Sources
(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid ChemIDplus
(3S-(3α,4β,21β))-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid ChemIDplus
3-[(3S,4S,21R)-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid IUPAC
Phaeophorbid b ChEBI
Phäophorbid-b ChEBI
pheophorbide b JCBN
Registry Numbers Types Sources
1208232 Beilstein Registry Number Beilstein
20239-99-0 CAS Registry Number ChemIDplus
75945 Beilstein Registry Number Beilstein
Last Modified
06 January 2008