CHEBI:158619 - Ala-Tyr-Ile

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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 Ala-Tyr-Ile
ChEBI ID CHEBI:158619
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H27N3O5
Net Charge 0
Average Mass 365.430
Monoisotopic Mass 365.19507
InChI InChI=1S/C18H27N3O5/c1-4-10(2)15(18(25)26)21-17(24)14(20-16(23)11(3)19)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)/t10-,11-,14-,15-/m0/s1
InChIKey GCTANJIJJROSLH-GVARAGBVSA-N
SMILES O=C(N[C@@H]([C@H](CC)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-Ile (CHEBI:158619) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid
Manual Xref Database
10443541 ChemSpider
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