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- ChemComp-6IA: N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6IA
NameName: N6-isopentenyl-adenosine-5'-monophosphate

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Chemical information

Composition
Formula: C15H24N5O7P / Number of atoms: 52 / Formula weight: 417.354 / Formal charge: 0
Others

A

Type: RNA LINKING / PDB classification: ATOMN / One letter code: A / Three letter code: 6IA / Ideal coordinates details: Corina / Parent comp.: A
History
Create componentJan 19, 2001
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)NCCC(C)C)C(O)C3O
CACTVS 3.341CC(C)CCNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0CC(C)CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341CC(C)CCNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1

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InChIKey

InChI 1.03GZJXCRHEMLAMRA-SDBHATRESA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-methylbutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-4kxm:
Crystal structure of DNPH1 (RCL) WITH N6-ISOPENTENYL-AMP

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