CHEBI:48398 - pyropheophorbide a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pyropheophorbide a
ChEBI ID CHEBI:48398
ChEBI ASCII Name pyropheophorbide 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 C33H34N4O3
Net Charge 0
Average Mass 534.64822
Monoisotopic Mass 534.26309
InChI InChI=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
InChIKey IEGUQQKIFBYXLG-CDIXLCFRSA-N
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4CC(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing pyropheophorbide a (CHEBI:48398) is a pheophorbide (CHEBI:38254)
pyropheophorbide a (CHEBI:48398) is conjugate acid of pyropheophorbide a anion (CHEBI:58742)
Incoming pyropheophorbide a anion (CHEBI:58742) is conjugate base of pyropheophorbide a (CHEBI:48398)
Synonyms Sources
(3S-trans)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid ChemIDplus
3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid IUPAC
Manual Xref Database
C18064 KEGG COMPOUND
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Registry Numbers Types Sources
1936667 Gmelin Registry Number Gmelin
24533-72-0 CAS Registry Number ChemIDplus
73087 Beilstein Registry Number Beilstein
Last Modified
28 July 2014