CHEBI:163725 - Thr-Asn-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 Thr-Asn-Tyr
ChEBI ID CHEBI:163725
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24N4O7
Net Charge 0
Average Mass 396.400
Monoisotopic Mass 396.16450
InChI InChI=1S/C17H24N4O7/c1-8(22)14(19)16(26)20-11(7-13(18)24)15(25)21-12(17(27)28)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12+,14+/m1/s1
InChIKey JVTHIXKSVYEWNI-JRQIVUDYSA-N
SMILES O[C@@H]([C@H](N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(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 Thr-Asn-Tyr (CHEBI:163725) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid