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CHEBI:159599 - Asn-Asp-Asn

Default Structure
ChEBI IDCHEBI:159599
ChEBI NameAsn-Asp-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O8
Net Charge0
Average Mass361.311
Monoisotopic Mass361.12336
SMILESNC(=O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C12H19N5O8/c13-4(1-7(14)18)10(22)16-5(3-9(20)21)11(23)17-6(12(24)25)2-8(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1
InChIKeyPIWWUBYJNONVTJ-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-Asn (CHEBI:159599) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid