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CHEBI:161057 - Asp-Val-Ser

ChEBI IDCHEBI:161057
ChEBI NameAsp-Val-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O7
Net Charge0
Average Mass319.314
Monoisotopic Mass319.13795
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H21N3O7/c1-5(2)9(11(20)14-7(4-16)12(21)22)15-10(19)6(13)3-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t6-,7-,9-/m0/s1
InChIKeyQOJJMJKTMKNFEF-ZKWXMUAHSA-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-Ser (CHEBI:161057) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid