EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166128 - Val-Asp-Ser

ChEBI IDCHEBI:166128
ChEBI NameVal-Asp-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O7
Net Charge0
Average Mass319.314
Monoisotopic Mass319.13795
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H21N3O7/c1-5(2)9(13)11(20)14-6(3-8(17)18)10(19)15-7(4-16)12(21)22/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
InChIKeyYODDULVCGFQRFZ-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)
Val-Asp-Ser (CHEBI:166128) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid