CHEBI:162686 - Glu-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 Glu-Ala-Tyr
ChEBI ID CHEBI:162686
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H23N3O7
Net Charge 0
Average Mass 381.385
Monoisotopic Mass 381.15360
InChI InChI=1S/C17H23N3O7/c1-9(19-16(25)12(18)6-7-14(22)23)15(24)20-13(17(26)27)8-10-2-4-11(21)5-3-10/h2-5,9,12-13,21H,6-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,12-,13-/m0/s1
InChIKey KBKGRMNVKPSQIF-XDTLVQLUSA-N
SMILES O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)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 Glu-Ala-Tyr (CHEBI:162686) is a oligopeptide (CHEBI:25676)
IUPAC Name
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual Xref Database
57489662 ChemSpider
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