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- ChemComp-9RN: 3,6-anhydro-D-galactose -

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Basic information

EntryDatabase: PDB chemical components / ID: 9RN
NameName: 3,6-anhydro-D-galactose

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Chemical information

Composition
Formula: C6H10O5 / Number of atoms: 21 / Formula weight: 162.141 / Formal charge: 0
Others

5ocq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9RN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OCQ
History
Create componentJul 3, 2017
Initial releaseOct 18, 2017
External linksUniChem / ChemSpider / Nikkaji / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
OpenEye OEToolkits 2.0.6C1C2C(C(O1)C(C(O2)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1O[C@@H]2CO[C@H]([C@H]1O)[C@H]2O
OpenEye OEToolkits 2.0.6C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1

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InChIKey

InChI 1.03DCQFFOLNJVGHLW-RDQKPOQOSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(1~{R},3~{S},4~{R},5~{S},8~{S})-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol

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PDB entries

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Crystal structure of PsS1_19B C77S in complex with kappa-neocarrabiose

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PDB-6ptk:
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