EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160469 - Asp-Cys-Thr

Default Structure
ChEBI IDCHEBI:160469
ChEBI NameAsp-Cys-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19N3O7S
Net Charge0
Average Mass337.354
Monoisotopic Mass337.09437
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C11H19N3O7S/c1-4(15)8(11(20)21)14-10(19)6(3-22)13-9(18)5(12)2-7(16)17/h4-6,8,15,22H,2-3,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t4-,5+,6+,8+/m1/s1
InChIKeyDZQKLNLLWFQONU-LKXGYXEUSA-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-Cys-Thr (CHEBI:160469) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid