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DGG : Summary
Code ![](/pdbe/static/images/help.png)
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DGG
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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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1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL
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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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C39 H75 O10 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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734.981 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(O)(OCC(O)CO)OCC(OC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCCCCCCCCC |
SMILES
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CACTVS |
3.341 |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC(O)CO)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36?,37-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JWIOKCJPLNKYBQ-JIZALCTLSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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125 (50 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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1999-08-19
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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