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CHEBI:166097 - Val-Asn-Asp

Default Structure
ChEBI IDCHEBI:166097
ChEBI NameVal-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O7
Net Charge0
Average Mass346.340
Monoisotopic Mass346.14885
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O7/c1-5(2)10(15)12(22)16-6(3-8(14)18)11(21)17-7(13(23)24)4-9(19)20/h5-7,10H,3-4,15H2,1-2H3,(H2,14,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7-,10-/m0/s1
InChIKeyAUMNPAUHKUNHHN-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)
Val-Asn-Asp (CHEBI:166097) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid