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- ChemComp-8AN: 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) -

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Basic information

EntryDatabase: PDB chemical components / ID: 8AN
NameName: 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)

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Chemical information

Composition
Formula: C10H15N6O6P / Number of atoms: 38 / Formula weight: 346.236 / Formal charge: 0
Others

3cma

A

Type: RNA LINKING / PDB classification: ATOMN / One letter code: A / Three letter code: 8AN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CMA / Parent comp.: A
History
Create componentMar 27, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N
CACTVS 3.341N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N

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InChI

InChI 1.03InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1

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InChIKey

InChI 1.03WIVGZDLLXCRANL-QYYRPYCUSA-N

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SYSTEMATIC NAME

ACDLabs 10.043'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-5aa0:
Complex of Thermous thermophilus ribosome (A-and P-site tRNA) bound to BipA-GDPCP

PDB-5tgm:
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro

PDB-8eiu:
E. coli 70S ribosome with A-loop mutations U2554C and U2555C

PDB-8g6w:
Structure of WT E.coli 70S ribosome complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site ortho-aminobenzoic acid charged NH-tRNAPhe

PDB-8g6x:
Structure of WT E.coli ribosome 50S subunit with complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site meta-aminobenzoic acid charged NH-tRNAPhe

PDB-8g6y:
Structure of WT E.coli ribosome 50S subunit with complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site 3-aminopyridine-4-carboxylic acid charged NH-tRNAPhe

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