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- ChemComp-2OM: 5,6-dihydroorotidine 5'-monophosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: 2OM
NameName: 5,6-dihydroorotidine 5'-monophosphate

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Chemical information

Composition
Formula: C10H15N2O11P / Number of atoms: 39 / Formula weight: 370.207 / Formal charge: 0
Others

3g1f

U

Type: RNA LINKING / PDB classification: ATOMN / One letter code: U / Three letter code: 2OM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G1F / Parent comp.: U
History
Create componentFeb 6, 2009
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)C1N(C(=O)NC(=O)C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2[CH](CC(=O)NC2=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2[C@H](CC(=O)NC2=O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H15N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h3-4,6-8,14-15H,1-2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t3-,4-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03ZVESSEXVBFSYOC-NFTAXOAUSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-carboxyuridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0(4R)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxylic acid

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PDB entries

Showing all 1 items

PDB-3g1f:
Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5,6-dihydroorotidine 5'-monophosphate

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