EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:159481 - Asn-Ala-Asp

ChEBI IDCHEBI:159481
ChEBI NameAsn-Ala-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O7
Net Charge0
Average Mass318.286
Monoisotopic Mass318.11755
SMILESC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H18N4O7/c1-4(14-10(20)5(12)2-7(13)16)9(19)15-6(11(21)22)3-8(17)18/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
InChIKeyRZVVKNIACROXRM-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-Ala-Asp (CHEBI:159481) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanedioic acid