CHEBI:165984 - Tyr-Thr-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 Tyr-Thr-Ile
ChEBI ID CHEBI:165984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H29N3O6
Net Charge 0
Average Mass 395.456
Monoisotopic Mass 395.20564
InChI InChI=1S/C19H29N3O6/c1-4-10(2)15(19(27)28)21-18(26)16(11(3)23)22-17(25)14(20)9-12-5-7-13(24)8-6-12/h5-8,10-11,14-16,23-24H,4,9,20H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)/t10-,11+,14-,15-,16-/m0/s1
InChIKey NZBSVMQZQMEUHI-WZLNRYEVSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@H](CC)C)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-Thr-Ile (CHEBI:165984) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid