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- ChemComp-SOR: sorbitol -

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Basic information

EntryDatabase: PDB chemical components / ID: SOR
NameName: sorbitol / Synonyms: D-sorbitol; D-glucitol

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Chemical information

Composition
Formula: C6H14O6 / Number of atoms: 26 / Formula weight: 182.172 / Formal charge: 0
Others

1xih

Type: D-saccharide / PDB classification: ATOMS / Three letter code: SOR / Model coordinates PDB-ID: 1XIH
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1

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InChIKey

InChI 1.03FBPFZTCFMRRESA-JGWLITMVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04D-glucitol
OpenEye OEToolkits 1.5.0(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

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