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- ChemComp-TYE: 4-[(2S)-2-amino-3-hydroxypropyl]phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: TYE
NameName: 4-[(2S)-2-amino-3-hydroxypropyl]phenol / Synonyms: tyrosinol; bound form of TYROSINAL

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Chemical information

Composition
Formula: C9H13NO2 / Number of atoms: 25 / Formula weight: 167.205 / Formal charge: 0
Others

3p0i

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: TYE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3P0I / Parent comp.: TYR
History
Create componentOct 11, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsOct 9, 2018
Modify linking typeOct 9, 2018
Modify leaving atom flagOct 9, 2018
Modify parent residueOct 9, 2018
Modify synonymsMay 27, 2020
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01Oc1ccc(cc1)CC(N)CO
CACTVS 3.370N[CH](CO)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(CO)N)O

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SMILES CANONICAL

CACTVS 3.370N[C@H](CO)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](CO)N)O

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InChI

InChI 1.03InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1

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InChIKey

InChI 1.03DBLDQZASZZMNSL-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-[(2S)-2-amino-3-hydroxypropyl]phenol
OpenEye OEToolkits 1.7.04-[(2S)-2-azanyl-3-hydroxy-propyl]phenol

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PDB entries

Showing all 6 items

PDB-1h3e:
Tyrosyl-tRNA synthetase from Thermus thermophilus complexed with wild-type tRNAtyr(GUA) and with ATP and tyrosinol

PDB-1h3f:
Tyrosyl-tRNA synthetase from Thermus thermophilus complexed with tyrosinol

PDB-1q11:
Crystal structure of an active fragment of human tyrosyl-tRNA synthetase with tyrosinol

PDB-2j5b:
Structure of the Tyrosyl tRNA synthetase from Acanthamoeba polyphaga Mimivirus complexed with tyrosynol

PDB-3p0i:
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, cubic crystal form

PDB-3p0j:
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, triclinic crystal form 1

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