EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58716 - red chlorophyll catabolite(2−)

ChEBI IDCHEBI:58716
ChEBI Namered chlorophyll catabolite(2−)
Stars
ASCII Namered chlorophyll catabolite(2-)
DefinitionDianion of red chlorophyll catabolite.
Last Modified20 October 2014
DownloadsMolfile
FormulaC35H36N4O7
Net Charge-2
Average Mass624.694
Monoisotopic Mass624.25950
SMILES[H]C(=O)c1nc(Cc2nc3c(c2C)C(=O)[C-](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/C35H37N4O7/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/h9,12,14,17,21,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/q-1/p-1/b23-12-,31-29-/t17-,21-/m0/s1
InChIKeyXUGDLVKQDJHHDW-CRRWILEESA-M
ChEBI Ontology
Outgoing Relation(s)
red chlorophyll catabolite(2−) (CHEBI:58716) is a linear tetrapyrrole anion (CHEBI:59252)
red chlorophyll catabolite(2−) (CHEBI:58716) is conjugate base of red chlorophyll catabolite (CHEBI:47899)
Incoming Relation(s)
red chlorophyll catabolite (CHEBI:47899) is conjugate acid of red chlorophyll catabolite(2−) (CHEBI:58716)
IUPAC Name 
3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-5-id-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoate
UniProt Name  Source
red chlorophyll cataboliteUniProt