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CHEBI:47899 - red chlorophyll catabolite

ChEBI IDCHEBI:47899
ChEBI Namered chlorophyll catabolite
Stars
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H38N4O7
Net Charge0
Average Mass626.710
Monoisotopic Mass626.27405
SMILES[H]C(=O)c1nc(Cc2nc3c(c2C)C(=O)[C@H](C(=O)OC)/C3=C2/N=C(/C=C3\NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC(=O)O)c(CC)c1C
InChIInChI=1S/C35H38N4O7/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/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1
InChIKeyZDEZVOKVUGXDCZ-FATBKOMMSA-N
ChEBI Ontology
Outgoing Relation(s)
red chlorophyll catabolite (CHEBI:47899) has functional parent biladiene-ab (CHEBI:36733)
red chlorophyll catabolite (CHEBI:47899) is a biladienes (CHEBI:36735)
red chlorophyll catabolite (CHEBI:47899) is conjugate acid of red chlorophyll catabolite(2−) (CHEBI:58716)
Incoming Relation(s)
red chlorophyll catabolite(2−) (CHEBI:58716) is conjugate base of red chlorophyll catabolite (CHEBI:47899)
IUPAC Name 
3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)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
(7S,8S,101R)-8-(2-carboxyethyl)-17-ethyl-19-formyl-101-(methoxycarbonyl)-3,7,13,18-tetramethyl-2-vinyl-8,23-dihydro-7H-10,12-ethanobiladiene-ab-1,102(21H)-dioneJCBN
RCCChEBI
Manual XrefsDatabases
C18022KEGG COMPOUND
Registry NumbersSources
Beilstein:7847243Beilstein