EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166388 - Val-Thr-Ser

ChEBI IDCHEBI:166388
ChEBI NameVal-Thr-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O6
Net Charge0
Average Mass305.331
Monoisotopic Mass305.15869
SMILESCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H23N3O6/c1-5(2)8(13)10(18)15-9(6(3)17)11(19)14-7(4-16)12(20)21/h5-9,16-17H,4,13H2,1-3H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7+,8+,9+/m1/s1
InChIKeyOFTXTCGQJXTNQS-XGEHTFHBSA-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-Thr-Ser (CHEBI:166388) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid