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CHEBI:160363 - Asp-Asn-Asp

ChEBI IDCHEBI:160363
ChEBI NameAsp-Asn-Asp
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](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H18N4O9/c13-4(1-8(18)19)10(22)15-5(2-7(14)17)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
InChIKeyQRULNKJGYQQZMW-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-Asn-Asp (CHEBI:160363) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid