EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160939 - Asp-Thr-Thr

ChEBI IDCHEBI:160939
ChEBI NameAsp-Thr-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O8
Net Charge0
Average Mass335.313
Monoisotopic Mass335.13286
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)O
InChIInChI=1S/C12H21N3O8/c1-4(16)8(14-10(20)6(13)3-7(18)19)11(21)15-9(5(2)17)12(22)23/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,20)(H,15,21)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1
InChIKeyRSMZEHCMIOKNMW-GSSVUCPTSA-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-Thr (CHEBI:160939) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid