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CHEBI:161031 - Asp-Val-Asn

ChEBI IDCHEBI:161031
ChEBI NameAsp-Val-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O7
Net Charge0
Average Mass346.340
Monoisotopic Mass346.14885
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O7/c1-5(2)10(17-11(21)6(14)3-9(19)20)12(22)16-7(13(23)24)4-8(15)18/h5-7,10H,3-4,14H2,1-2H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7-,10-/m0/s1
InChIKeyPLOKOIJSGCISHE-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-Val-Asn (CHEBI:161031) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid