EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158026 - Ala-Asp-Asp

ChEBI IDCHEBI:158026
ChEBI NameAla-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17N3O8
Net Charge0
Average Mass319.270
Monoisotopic Mass319.10156
SMILESC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H17N3O8/c1-4(12)9(19)13-5(2-7(15)16)10(20)14-6(11(21)22)3-8(17)18/h4-6H,2-3,12H2,1H3,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyWXERCAHAIKMTKX-ZLUOBGJFSA-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)
Ala-Asp-Asp (CHEBI:158026) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid