CHEBI:42121 - dipyrromethane cofactor

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dipyrromethane cofactor
ChEBI ID CHEBI:42121
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42120, CHEBI:30410
Supplier Information
Download Molfile XML SDF
Formula C20H24N2O8
Net Charge 0
Average Mass 420.41324
Monoisotopic Mass 420.15327
InChI InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h9,21-22H,2-8H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKey LCAXMKQKEYTFDM-UHFFFAOYSA-N
SMILES Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dipyrromethane cofactor (CHEBI:42121) has parent hydride dipyrromethane (CHEBI:36319)
dipyrromethane cofactor (CHEBI:42121) has role prosthetic group (CHEBI:26348)
dipyrromethane cofactor (CHEBI:42121) is a tetracarboxylic acid (CHEBI:35742)
dipyrromethane cofactor (CHEBI:42121) is conjugate acid of dipyrromethane cofactor(4−) (CHEBI:60342)
Incoming dipyrromethane cofactor(4−) (CHEBI:60342) is conjugate base of dipyrromethane cofactor (CHEBI:42121)
IUPAC Names
3,8-bis(carboxymethyl)-9-methyl-5,10-dihydrodipyrrin-2,7-dipropionic acid
3,8-bis(carboxymethyl)-9-methyldipyrromethane-2,7-dipropionic acid
Synonyms Sources
3,8-bis(2-carboxyethyl)-2,7-bis(carboxymethyl)-1-methyldipyrromethane COMe
3-{2-[4-(2-CARBOXY-ETHYL)-3-CARBOXYMETHYL-5H-PYRROL-2-YLMETHYL]-4-CARBOXYMETHYL-5-METHYL-2H-PYRROL-3-YL}-PROPIONIC ACID PDBeChem
DIPYRROMETHANE COFACTOR PDBeChem
Manual Xrefs Databases
DB04517 DrugBank
DPM PDBeChem
MOL000167 COMe
View more database links
Last Modified
27 June 2014