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CHEBI:159600 - Asn-Asp-Asp

ChEBI IDCHEBI:159600
ChEBI NameAsn-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18N4O9
Net Charge0
Average Mass362.295
Monoisotopic Mass362.10738
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H18N4O9/c13-4(1-7(14)17)10(22)15-5(2-8(18)19)11(23)16-6(12(24)25)3-9(20)21/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
InChIKeyXVVOVPFMILMHPX-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-Asp (CHEBI:159600) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanedioic acid