EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166189 - Val-Glu-Thr

ChEBI IDCHEBI:166189
ChEBI NameVal-Glu-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O7
Net Charge0
Average Mass347.368
Monoisotopic Mass347.16925
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C14H25N3O7/c1-6(2)10(15)13(22)16-8(4-5-9(19)20)12(21)17-11(7(3)18)14(23)24/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,10+,11+/m1/s1
InChIKeyXWYUBUYQMOUFRQ-IFFSRLJSSA-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-Glu-Thr (CHEBI:166189) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid