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- ChemComp-E95: 7-Methyl-L-Tryptophan -

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Basic information

EntryDatabase: PDB chemical components / ID: E95
NameName: 7-Methyl-L-Tryptophan

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Chemical information

Composition
Formula: C12H14N2O2 / Number of atoms: 30 / Formula weight: 218.252 / Formal charge: 0
Others

6fwa

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: E95 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FWA
History
Create componentMar 6, 2018
Other modificationApr 21, 2018
Initial releaseFeb 13, 2019
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChemicalBook / Nikkaji / PubChem / 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

CACTVS 3.385Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
OpenEye OEToolkits 2.0.6Cc1cccc2c1[nH]cc2CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385Cc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12
OpenEye OEToolkits 2.0.6Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1

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InChIKey

InChI 1.03KBOZNJNHBBROHM-JTQLQIEISA-N

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PDB entries

Showing all 1 items

PDB-6fwa:
Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 7-Methyl-L-Tryptophan

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