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- ChemComp-HRP: 5-HYDROXY-L-TRYPTOPHAN -

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Basic information

EntryDatabase: PDB chemical components / ID: HRP
NameName: 5-hydroxy-L-tryptophan

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Chemical information

Composition
Formula: C11H12N2O3 / Number of atoms: 28 / Formula weight: 220.225 / Formal charge: 0
Others

1yia

TRP

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: W / Three letter code: HRP / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Model coordinates PDB-ID: 1YIA / Parent comp.: TRP
History
Create componentJan 14, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / Metabolights / 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 10.04O=C(O)C(N)Cc2c1cc(O)ccc1nc2
CACTVS 3.341N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1

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InChIKey

InChI 1.03LDCYZAJDBXYCGN-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-hydroxy-D-tryptophan
OpenEye OEToolkits 1.5.0(2R)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

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PDB entries

Showing all 1 items

PDB-1yia:
Crystal structure of tryptophanyl tRNA synthetase II from Deinococcus radiodurans in complex with 5-Hydroxy tryptophan.

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