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VOG : Summary
Code
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VOG
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One-letter code
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X
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Molecule name
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(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
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Synonyms
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voglibose
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Systematic names
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Formula
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C10 H21 N O7
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Formal charge
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0
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Molecular weight
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267.276 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO |
SMILES
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CACTVS |
3.385 |
OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO |
Canonical SMILES
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CACTVS |
3.385 |
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO |
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IUPAC InChI | InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1 |
IUPAC InChI key | FZNCGRZWXLXZSZ-CIQUZCHMSA-N |
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wwPDB Information |
Atom count
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39 (18 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2018-01-30
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Last modified at
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2021-03-01
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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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