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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole
ChEBI ID CHEBI:59935
Definition A polyalkyl-substituted tripyrrane dicarboxylic acid, a precursor of a porphyrin system.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H35N3O4
Net Charge 0
Average Mass 453.57380
Monoisotopic Mass 453.26276
InChI InChI=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)
InChIKey AUDZWJHKEGBIFV-UHFFFAOYSA-N
SMILES CCc1c(C)c([nH]c1Cc1[nH]c(Cc2[nH]c(C(O)=O)c(C)c2CC)c(CC)c1CC)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
3576605 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
19048138 PubMed citation Europe PMC
Last Modified
02 August 2010