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GPP : Summary
Code
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GPP
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One-letter code
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X
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Molecule name
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GERANYL DIPHOSPHATE
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Systematic names
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Formula
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C10 H20 O7 P2
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Formal charge
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0
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Molecular weight
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314.209 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O |
SMILES
|
CACTVS |
3.341 |
CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C |
Canonical SMILES
|
CACTVS |
3.341 |
CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C |
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IUPAC InChI | InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+ |
IUPAC InChI key | GVVPGTZRZFNKDS-JXMROGBWSA-N |
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wwPDB Information |
Atom count
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39 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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