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- ChemComp-O3Z: (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-y... -

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Basic information

EntryDatabase: PDB chemical components / ID: O3Z
NameName: (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid

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Chemical information

Composition
Formula: C11H17N2O8P / Number of atoms: 39 / Formula weight: 336.235 / Formal charge: 0
Others

6ti4

Type: non-polymer / PDB classification: HETAIN / Three letter code: O3Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TI4
History
Create componentJan 28, 2020
Initial releaseApr 15, 2020
External linksUniChem / ChemSpider / PubChem / 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(CN[CH](CO)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1

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InChIKey

InChI 1.03ODVKKQWXKRZJLG-SECBINFHSA-N

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PDB entries

Showing all 1 items

PDB-6ti4:
SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/D-Serine/Lys230 gem diamine complex

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