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- ChemComp-ORX: N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}ME... -

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Basic information

EntryDatabase: PDB chemical components / ID: ORX
NameName: N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine

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Chemical information

Composition
Formula: C13H22N3O7P / Number of atoms: 46 / Formula weight: 363.303 / Formal charge: 0
Others

1njj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ORX / Model coordinates PDB-ID: 1NJJ
History
Create componentFeb 10, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCN)C(O)=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCN)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CCCN)C(O)=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1

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InChIKey

InChI 1.03OIRLUPUXIUAWOH-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine
OpenEye OEToolkits 1.5.0(2R)-5-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid

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PDB entries

Showing all 3 items

PDB-1njj:
Crystal structure determination of T. brucei ornithine decarboxylase bound to D-ornithine and to G418

PDB-1szr:
A Dimer interface mutant of ornithine decarboxylase reveals structure of gem diamine intermediate

PDB-8d5r:
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-ornithine

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