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CHEBI:59951 - pentosidine

ChEBI IDCHEBI:59951
ChEBI Namepentosidine
Stars
DefinitionAn imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively.
Last Modified23 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H26N6O4
Net Charge0
Average Mass378.433
Monoisotopic Mass378.20155
SMILESN[C@@H](CCCCn1cccc2nc(NCCC[C@H](N)C(=O)O)nc1-2)C(=O)O
InChIInChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChIKeyAYEKKSTZQYEZPU-RYUDHWBXSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
biomarker  A substance used as an indicator of a biological state.
cross-linking reagent  A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified.
ChEBI Ontology
Outgoing Relation(s)
pentosidine (CHEBI:59951) has role biomarker (CHEBI:59163)
pentosidine (CHEBI:59951) has role cross-linking reagent (CHEBI:50684)
pentosidine (CHEBI:59951) is a imidazopyridine (CHEBI:46908)
pentosidine (CHEBI:59951) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)-L-norleucine
Registry NumbersSources
Reaxys:9298644Reaxys
CAS:124505-87-9ChemIDplus
Citations