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- ChemComp-DI: 2'-DEOXYINOSINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DI
NameName: 2'-deoxyinosine-5'-monophosphate

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Chemical information

Composition
Formula: C10H13N4O7P / Number of atoms: 35 / Formula weight: 332.207 / Formal charge: 0
Others

OIP

Type: DNA LINKING / PDB classification: ATOMN / One letter code: I / Three letter code: DI / Replaces: OIP
History
Create componentJun 1, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O

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InChI

InChI 1.03InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

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InChIKey

InChI 1.03PHNGFPPXDJJADG-RRKCRQDMSA-N

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SYSTEMATIC NAME

ACDLabs 10.042'-deoxy-5'-inosinic acid
OpenEye OEToolkits 1.5.0[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-1mrf:
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES

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