EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160401 - Asp-Asp-Asn

Default Structure
ChEBI IDCHEBI:160401
ChEBI NameAsp-Asp-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18N4O9
Net Charge0
Average Mass362.295
Monoisotopic Mass362.10738
SMILESNC(=O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H18N4O9/c13-4(1-8(18)19)10(22)15-5(3-9(20)21)11(23)16-6(12(24)25)2-7(14)17/h4-6H,1-3,13H2,(H2,14,17)(H,15,22)(H,16,23)(H,18,19)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1
InChIKeyQOVWVLLHMMCFFY-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)
Asp-Asp-Asn (CHEBI:160401) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid