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CHEBI:159595 - Asn-Asp-Ala

ChEBI IDCHEBI:159595
ChEBI NameAsn-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O7
Net Charge0
Average Mass318.286
Monoisotopic Mass318.11755
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O7/c1-4(11(21)22)14-10(20)6(3-8(17)18)15-9(19)5(12)2-7(13)16/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyKXEGPPNPXOKKHK-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-Ala (CHEBI:159595) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxyethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid