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M7P : Summary
Code
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M7P
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One-letter code
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X
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Molecule name
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7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
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Systematic names
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Formula
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C7 H15 O10 P
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Formal charge
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0
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Molecular weight
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290.162 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O |
SMILES
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CACTVS |
3.341 |
O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H](CO[P](O)(O)=O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O |
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IUPAC InChI | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1 |
IUPAC InChI key | SDADNVAZGVDAIM-QTNLNCNHSA-N |
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wwPDB Information |
Atom count
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33 (18 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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Type code
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ATOMS
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Is modified
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Yes
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Standard parent
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289
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Defined at
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2004-08-20
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Last modified at
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2020-07-17
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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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