EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160915 - Asp-Thr-Cys

ChEBI IDCHEBI:160915
ChEBI NameAsp-Thr-Cys
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](N)CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C11H19N3O7S/c1-4(15)8(10(19)13-6(3-22)11(20)21)14-9(18)5(12)2-7(16)17/h4-6,8,15,22H,2-3,12H2,1H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t4-,5+,6+,8+/m1/s1
InChIKeyIQCJOIHDVFJQFV-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-Thr-Cys (CHEBI:160915) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3R)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid