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RIL : Summary
Code ![](/pdbe/static/images/help.png)
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RIL
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H23 O5 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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278.282 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OCC1OC(OC1)(C)C)(O)CCCC\C=C |
SMILES
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CACTVS |
3.341 |
CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(OCC(O1)COP(=O)(CCCCC=C)O)C |
Canonical SMILES
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CACTVS |
3.341 |
CC1(C)OC[C@@H](CO[P@](O)(=O)CCCCC=C)O1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BUTLRPVAJSANIT-NSHDSACASA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2003-10-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-27
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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