EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163525 - Gly-Asp-Arg

ChEBI IDCHEBI:163525
ChEBI NameGly-Asp-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N6O6
Net Charge0
Average Mass346.344
Monoisotopic Mass346.16008
SMILESNCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C12H22N6O6/c13-5-8(19)17-7(4-9(20)21)10(22)18-6(11(23)24)2-1-3-16-12(14)15/h6-7H,1-5,13H2,(H,17,19)(H,18,22)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1
InChIKeyIWAXHBCACVWNHT-BQBZGAKWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gly-Asp-Arg (CHEBI:163525) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
8196070ChemSpider