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CHEBI:48398 - pyropheophorbide a

ChEBI IDCHEBI:48398
ChEBI Namepyropheophorbide a
Stars
ASCII Namepyropheophorbide a
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC33H34N4O3
Net Charge0
Average Mass534.660
Monoisotopic Mass534.26309
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C
InChIInChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
InChIKeyIEGUQQKIFBYXLG-CDIXLCFRSA-N
ChEBI Ontology
Outgoing Relation(s)
pyropheophorbide a (CHEBI:48398) is a pheophorbide (CHEBI:38254)
pyropheophorbide a (CHEBI:48398) is conjugate acid of pyropheophorbide a anion (CHEBI:58742)
Incoming Relation(s)
pyropheophorbide a anion (CHEBI:58742) is conjugate base of pyropheophorbide a (CHEBI:48398)
Synonyms  Source
(3S-trans)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acidChemIDplus
3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acidIUPAC
Manual XrefsDatabases
C18064KEGG COMPOUND
Registry NumbersSources
Beilstein:73087Beilstein
Gmelin:1936667Gmelin
CAS:24533-72-0ChemIDplus