CHEBI:160988 - Asp-Tyr-Ala

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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 Asp-Tyr-Ala
ChEBI ID CHEBI:160988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H21N3O7
Net Charge 0
Average Mass 367.358
Monoisotopic Mass 367.13795
InChI InChI=1S/C16H21N3O7/c1-8(16(25)26)18-15(24)12(6-9-2-4-10(20)5-3-9)19-14(23)11(17)7-13(21)22/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,11-,12-/m0/s1
InChIKey PLNJUJGNLDSFOP-UWJYBYFXSA-N
SMILES O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)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 Asp-Tyr-Ala (CHEBI:160988) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid