EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159624 - Asn-Asp-Ser

ChEBI IDCHEBI:159624
ChEBI NameAsn-Asp-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O8
Net Charge0
Average Mass334.285
Monoisotopic Mass334.11246
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H18N4O8/c12-4(1-7(13)17)9(20)14-5(2-8(18)19)10(21)15-6(3-16)11(22)23/h4-6,16H,1-3,12H2,(H2,13,17)(H,14,20)(H,15,21)(H,18,19)(H,22,23)/t4-,5-,6-/m0/s1
InChIKeyVYLVOMUVLMGCRF-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)
Asn-Asp-Ser (CHEBI:159624) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
8263765ChemSpider