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- ChemComp-BP2: (+)-BORNYL DIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: BP2
NameName: (+)-bornyl diphosphate

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Chemical information

Composition
Formula: C10H17O7P2 / Number of atoms: 36 / Formula weight: 311.185 / Formal charge: -3
Others

1n24

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BP2 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Model coordinates PDB-ID: 1N24
History
Create componentOct 25, 2002
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

CACTVS 3.341CC1(C)[CH]2CC[C]1(C)[CH](C2)O[P]([O-])(=O)O[P]([O-])([O-])=O
OpenEye OEToolkits 1.5.0CC1(C2CCC1(C(C2)OP(=O)([O-])OP(=O)([O-])[O-])C)C

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SMILES CANONICAL

CACTVS 3.341CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)O[P]([O-])(=O)O[P]([O-])([O-])=O
OpenEye OEToolkits 1.5.0CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C

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InChI

InChI 1.03InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/t7-,8+,10+/m1/s1

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InChIKey

InChI 1.03VZPAJODTZAAANV-WEDXCCLWSA-K

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SYSTEMATIC NAME

OpenEye OEToolkits 1.5.0[oxido-[[(1R,4R,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]oxy]phosphoryl] phosphate

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PDB entries

Showing all 1 items

PDB-1n24:
(+)-Bornyl diphosphate synthase: Complex with Mg and product

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