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CDI : Summary
Code ![](/pdbe/static/images/help.png)
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CDI
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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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2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
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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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C5 H12 O9 P2
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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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278.091 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=P1(OP(=O)(OCC(O)C(O1)(C)CO)O)O |
SMILES
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CACTVS |
3.341 |
C[C]1(CO)O[P](O)(=O)O[P](O)(=O)OC[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@]1(CO)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SFRQRNJMIIUYDI-UHNVWZDZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (16 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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2001-09-18
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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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