EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161051 - Asp-Val-Met

ChEBI IDCHEBI:161051
ChEBI NameAsp-Val-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O6S
Net Charge0
Average Mass363.436
Monoisotopic Mass363.14641
SMILESCSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O
InChIInChI=1S/C14H25N3O6S/c1-7(2)11(17-12(20)8(15)6-10(18)19)13(21)16-9(14(22)23)4-5-24-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,11-/m0/s1
InChIKeyGXIUDSXIUSTSLO-QXEWZRGKSA-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-Met (CHEBI:161051) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid