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- ChemComp-ZIP: N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ZIP
NameName: N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine / Synonyms: ISOPENTENYLADENINE

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Chemical information

Composition
Formula: C10H13N5 / Number of atoms: 28 / Formula weight: 203.244 / Formal charge: 0
Others

1w1q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZIP / Model coordinates PDB-ID: 1W1Q
History
Create componentJun 23, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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 10.04n2c1c(ncn1)c(nc2)NC\C=C(/C)C
CACTVS 3.341CC(C)=CCNc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0CC(=CCNc1c2c([nH]cn2)ncn1)C

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SMILES CANONICAL

CACTVS 3.341CC(C)=CCNc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0CC(=CCNc1c2c([nH]cn2)ncn1)C

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InChI

InChI 1.03InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)

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InChIKey

InChI 1.03HYVABZIGRDEKCD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
OpenEye OEToolkits 1.5.0N-(3-methylbut-2-enyl)-9H-purin-6-amine

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PDB entries

Showing all 6 items

PDB-1w1q:
Plant Cytokinin Dehydrogenase in Complex with Isopentenyladenine

PDB-2exm:
Human CDK2 in complex with isopentenyladenine

PDB-3s1e:
Pro427Gln mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine

PDB-3s1f:
Asp169Glu mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine

PDB-3t4j:
Arabidopsis histidine kinase 4 sensor domain in complex with N-isopentenyl adenine

PDB-4gy9:
Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-isopentenyladenine (2iP)

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