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- ChemComp-6MC: CIS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6MC
Status

6MA

Status: Obsoleted / Replaced by: 6MA
NameName: cis-N6-methyl-deoxy-adenosine-5'-monophosphate

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Chemical information

Composition
Formula: C11H16N5O6P / Number of atoms: 39 / Formula weight: 345.248 / Formal charge: 0
Others

A

Type: RNA LINKING / PDB classification: ATOMN / One letter code: A / Three letter code: 6MC / Ideal coordinates details: Corina / Parent comp.: A
History
Create componentMar 19, 2003
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 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O
CACTVS 3.370CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.0CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.370CNc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.0CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O

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InChI

InChI 1.02InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1

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InChIKey

InChI 1.02MGKYNCZAQIZDCV-XLPZGREQSA-N

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SYSTEMATIC NAME

ACDLabs 12.012'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.7.0[(2R,3S,5R)-3-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

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