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CHEBI:142161 - biotripyrrin-a

ChEBI IDCHEBI:142161
ChEBI Namebiotripyrrin-a
Stars
DefinitionA tripyrrole that is an oxidized metabolite of bilirubin, in which methyl groups are present at positions 2, 7 and 13 with a vinyl group at position 3.
Last Modified10 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H27N3O6
Net Charge0
Average Mass465.506
Monoisotopic Mass465.18999
SMILESC=CC1=C(C)C(=O)NC1=Cc1nc(C=C2NC(=O)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
InChIInChI=1S/C25H27N3O6/c1-5-15-13(3)24(33)27-19(15)10-18-12(2)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)25(34)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)
InChIKeyDXWHHYOVLWSVQD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
biotripyrrin-a (CHEBI:142161) has parent hydride tripyrrin (CHEBI:36320)
biotripyrrin-a (CHEBI:142161) is a tripyrrole (CHEBI:36317)
IUPAC Name 
3-[2-({3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid
Synonyms  Source
3-[2-({3-(2-carboxyethyl)-5-[(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acidIUPAC
1,14,15,17-tetrahydro-2,7,13-trimethyl-1,14-dioxo-3-vinyl-16H-tripyrrin-8,12-dipropionic acidIUPAC
3-[2-({3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acidIUPAC
Manual XrefsDatabases
HMDB0003323HMDB
Citations