 |
B7G : Summary
Code 
|
B7G
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One-letter code
|
X
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Molecule name
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heptyl beta-D-glucopyranoside
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Synonyms
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HEPTYL-BETA-D-GLUCOPYRANOSIDE
heptyl beta-D-glucoside
heptyl D-glucoside
heptyl glucoside
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Systematic names
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Formula
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C13 H26 O6
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Formal charge
|
0
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Molecular weight
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278.342 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
ACDLabs |
10.04 |
O(CCCCCCC)C1OC(C(O)C(O)C1O)CO |
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SMILES
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CACTVS |
3.341 |
CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
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SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCOC1C(C(C(C(O1)CO)O)O)O |
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Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
|
IUPAC InChI | InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1 |
IUPAC InChI key | NIDYWHLDTIVRJT-UJPOAAIJSA-N |
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wwPDB Information |
Atom count
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45 (19 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
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Type code
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ATOMS
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Is modified
|
Yes
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Standard parent
|
BGC
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Defined at
|
1999-07-08
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Last modified at
|
2020-07-17
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Status
|
Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
