CHEBI:38257 - pheophorbide a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophorbide a
ChEBI ID CHEBI:38257
ChEBI ASCII Name pheophorbide a
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0174846, eMolecules:480363, ZINC000000087959
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Indole-3-carbaldehyde (I3A), also known as indole-3-aldehyde and 3-formylindole, is a metabolite of dietary L-tryptophan which is synthesized by human gastrointestinal bacteria, particularly species of the Lactobacillus genus. I3A is a biologically active metabolite which acts as a receptor agonist at the aryl hydrocarbon receptor in intestinal immune cells, in turn stimulating the production of interleukin-22 which facilitates mucosal reactivity.
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Formula C35H36N4O5
Net Charge 0
Average Mass 592.68430
Monoisotopic Mass 592.26857
InChI InChI=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
InChIKey NSFSLUUZQIAOOX-QEWKCGBTSA-N
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing pheophorbide a (CHEBI:38257) is a pheophorbide (CHEBI:38254)
pheophorbide a (CHEBI:38257) is conjugate acid of pheophorbide a(2−) (CHEBI:58687)
Incoming 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 Sources
(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid ChemIDplus
3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid IUPAC
3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid IUPAC
Phaeophorbid a ChEBI
Phäophorbid-a ChEBI
pheophorbide a JCBN
Manual Xrefs Databases
10343120 ChemSpider
C18021 KEGG COMPOUND
FDB031104 FooDB
Pheophorbide_A Wikipedia
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Registry Numbers Types Sources
1208052 Beilstein Registry Number Beilstein
15664-29-6 CAS Registry Number KEGG COMPOUND
15664-29-6 CAS Registry Number ChemIDplus
75385 Beilstein Registry Number Beilstein
Citations
Last Modified
09 March 2021