CHEBI:158601 - Ala-Tyr-Ala

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ala-Tyr-Ala
ChEBI ID CHEBI:158601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H21N3O5
Net Charge 0
Average Mass 323.349
Monoisotopic Mass 323.14812
InChI InChI=1S/C15H21N3O5/c1-8(16)13(20)18-12(14(21)17-9(2)15(22)23)7-10-3-5-11(19)6-4-10/h3-6,8-9,12,19H,7,16H2,1-2H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9-,12-/m0/s1
InChIKey AENHOIXXHKNIQL-AUTRQRHGSA-N
SMILES O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC1=CC=C(O)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ala-Tyr-Ala (CHEBI:158601) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
Manual Xref Database
5384359 ChemSpider
View more database links