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CHEBI:161058 - Asp-Val-Thr

ChEBI IDCHEBI:161058
ChEBI NameAsp-Val-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O7
Net Charge0
Average Mass333.341
Monoisotopic Mass333.15360
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C13H23N3O7/c1-5(2)9(15-11(20)7(14)4-8(18)19)12(21)16-10(6(3)17)13(22)23/h5-7,9-10,17H,4,14H2,1-3H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t6-,7+,9+,10+/m1/s1
InChIKeyRKXVTTIQNKPCHU-KKHAAJSZSA-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-Thr (CHEBI:161058) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid