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- ChemComp-G0F: [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyri... -

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Basic information

EntryDatabase: PDB chemical components / ID: G0F
NameName: [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

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Chemical information

Composition
Formula: C12H21N2O5PS / Number of atoms: 42 / Formula weight: 336.344 / Formal charge: 0
Others

7cim

Type: non-polymer / PDB classification: HETAIN / Three letter code: G0F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CIM
History
Create componentJul 14, 2020
Initial releaseJan 27, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O

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SMILES CANONICAL

CACTVS 3.385CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O

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InChI

InChI 1.03InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18)

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InChIKey

InChI 1.03AGFAHJKGUOFCGH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7cim:
Crystal structure of L-methionine decarboxylase from Streptomyces sp.590 in complexed with 3-methlythiopropylamine (geminal diamine form).

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