CHEBI:164988 - Tyr-Asn-Thr

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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 Tyr-Asn-Thr
ChEBI ID CHEBI:164988
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(17(27)28)21-16(26)12(7-13(19)24)20-15(25)11(18)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12+,14+/m1/s1
InChIKey ZNFPUOSTMUMUDR-JRQIVUDYSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC(=O)N)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 Tyr-Asn-Thr (CHEBI:164988) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid