EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160395 - Asp-Asn-Val

ChEBI IDCHEBI:160395
ChEBI NameAsp-Asn-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O7
Net Charge0
Average Mass346.340
Monoisotopic Mass346.14885
SMILESCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O7/c1-5(2)10(13(23)24)17-12(22)7(4-8(15)18)16-11(21)6(14)3-9(19)20/h5-7,10H,3-4,14H2,1-2H3,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,10-/m0/s1
InChIKeyRDRMWJBLOSRRAW-BYULHYEWSA-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)
Asp-Asn-Val (CHEBI:160395) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid