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CHEBI:47951 - primary fluorescent chlorophyll catabolite

ChEBI IDCHEBI:47951
ChEBI Nameprimary fluorescent chlorophyll catabolite
Stars
DefinitionA member of the class of bilenes that is red chlorophyll catabolite in which a methylene group is introduced at position 1 via the reduction of a double bond. It is an intermediate of chlorophyll breakdown in plants.
Last Modified29 March 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H40N4O7
Net Charge0
Average Mass628.726
Monoisotopic Mass628.28970
SMILES[H]C(=O)c1nc(Cc2nc3c(c2C)C(=O)[C@H](C(=O)OC)/C3=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC(=O)O)c(CC)c1C
InChIInChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23?,30+/m0/s1
InChIKeyULSSSZOYSMVFIJ-NPQUFKRBSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
primary fluorescent chlorophyll catabolite (CHEBI:47951) has functional parent bilene-b (CHEBI:36732)
primary fluorescent chlorophyll catabolite (CHEBI:47951) has role plant metabolite (CHEBI:76924)
primary fluorescent chlorophyll catabolite (CHEBI:47951) is a bilenes (CHEBI:36736)
primary fluorescent chlorophyll catabolite (CHEBI:47951) is conjugate acid of primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670)
Incoming Relation(s)
(1R)-primary fluorescent chlorophyll catabolite (CHEBI:167883) is a primary fluorescent chlorophyll catabolite (CHEBI:47951)
(1S)-primary fluorescent chlorophyll catabolite (CHEBI:167882) is a primary fluorescent chlorophyll catabolite (CHEBI:47951)
primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is conjugate base of primary fluorescent chlorophyll catabolite (CHEBI:47951)
IUPAC Name 
3-{(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
Synonyms  Source
(82R,12S,13S)-12-(2-carboxyethyl)-3-ethyl-1-formyl-82-(methoxycarbonyl)-2,7,13,17-tetramethyl-18-vinyl-12,13-dihydro-8,10-ethanobilene-b-81,19(16H)-dioneJCBN
pFCCChEBI
primary FCCChEBI
Manual XrefsDatabases
C18098KEGG COMPOUND
21865480ChemSpider
Registry NumbersSources
Beilstein:7679417Beilstein
Citations