EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59935 - 2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole

ChEBI IDCHEBI:59935
ChEBI Name2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole
Stars
DefinitionA polyalkyl-substituted tripyrrane dicarboxylic acid, a precursor of a porphyrin system.
Last Modified2 August 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H35N3O4
Net Charge0
Average Mass453.583
Monoisotopic Mass453.26276
SMILESCCc1c(Cc2nc(Cc3nc(C(=O)O)c(C)c3CC)c(CC)c2CC)nc(C(=O)O)c1C
InChIInChI=1S/C26H35N3O4/c1-7-15-13(5)23(25(30)31)28-19(15)11-21-17(9-3)18(10-4)22(27-21)12-20-16(8-2)14(6)24(29-20)26(32)33/h27-29H,7-12H2,1-6H3,(H,30,31)(H,32,33)
InChIKeyAUDZWJHKEGBIFV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole (CHEBI:59935) is a dicarboxylic acid (CHEBI:35692)
2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole (CHEBI:59935) is a tripyrrane (CHEBI:59934)
IUPAC Name 
5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)dimethanediyl]bis(4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid)
Registry NumbersSources
Beilstein:3576605Beilstein
Citations