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CHEBI:142162 - biotripyrrin-b

ChEBI IDCHEBI:142162
ChEBI Namebiotripyrrin-b
Stars
DefinitionA tripyrrole that is an oxidized metabolite of bilirubin, in which methyl groups are present at positions 3, 7 and 13 with a vinyl group at position 2.
Last Modified10 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H27N3O6
Net Charge0
Average Mass465.506
Monoisotopic Mass465.18999
SMILESC=CC1=C(C)C(=Cc2nc(C=C3NC(=O)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChIInChI=1S/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)
InChIKeyPMIYFUGIVLGYIZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
biotripyrrin-b (CHEBI:142162) has parent hydride tripyrrin (CHEBI:36320)
biotripyrrin-b (CHEBI:142162) is a tripyrrole (CHEBI:36317)
IUPAC Name 
3-[2-({3-(2-carboxyethyl)-5-[(4-ethenyl-3-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-[(3-methyl-5-oxo-4-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
3-[2-({3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-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
1,14,15,17-tetrahydro-3,7,13-trimethyl-1,14-dioxo-2-vinyl-16H-tripyrrin-8,12-dipropionic acidIUPAC
Manual XrefsDatabases
HMDB0003324HMDB
Citations