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CHEBI:157986 - Ala-Asn-Asp

Default Structure
ChEBI IDCHEBI:157986
ChEBI NameAla-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O7
Net Charge0
Average Mass318.286
Monoisotopic Mass318.11755
SMILESC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H18N4O7/c1-4(12)9(19)14-5(2-7(13)16)10(20)15-6(11(21)22)3-8(17)18/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyGFBLJMHGHAXGNY-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)
Ala-Asn-Asp (CHEBI:157986) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid