EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158007 - Ala-Asn-Phe

ChEBI IDCHEBI:158007
ChEBI NameAla-Asn-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N4O5
Net Charge0
Average Mass350.375
Monoisotopic Mass350.15902
SMILESC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H22N4O5/c1-9(17)14(22)19-11(8-13(18)21)15(23)20-12(16(24)25)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,17H2,1H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t9-,11-,12-/m0/s1
InChIKeySHYYAQLDNVHPFT-DLOVCJGASA-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-Phe (CHEBI:158007) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
9431632ChemSpider