CHEBI:158163 - Ile-Ala-Tyr

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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 Ile-Ala-Tyr
ChEBI ID CHEBI:158163
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(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1
InChIKey HERITAGIPLEJMT-GVARAGBVSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C)[C@@H](N)[C@H](CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Ile-Ala-Tyr (CHEBI:158163) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual Xref Database
9785040 ChemSpider
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