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- ChemComp-E1O: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-... -

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Basic information

EntryDatabase: PDB chemical components / ID: E1O
NameName: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid

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Chemical information

Composition
Formula: C11H15N2O7PS / Number of atoms: 37 / Formula weight: 350.285 / Formal charge: 0
Others

6l0s

Type: non-polymer / PDB classification: HETAIN / Three letter code: E1O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6L0S
History
Create componentOct 2, 2019
Initial releaseSep 23, 2020
External linksUniChem / ChemSpider / Nikkaji / 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 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CS)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CS)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m0/s1

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InChIKey

InChI 1.03NUTWYOJHALJXFM-BIMOUXMDSA-N

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PDB entries

Showing all 1 items

PDB-6l0s:
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine

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