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AHM : Summary
Code ![](/pdbe/static/images/help.png)
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AHM
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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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2,5-anhydro-1,6-di-O-phosphono-D-mannitol
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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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C6 H14 O11 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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324.116 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(C(O)C1O)COP(=O)(O)O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WSMBXSQDFPTODV-KVTDHHQDSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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D-saccharide
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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