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- ChemComp-OYO: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-... -

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Basic information

EntryDatabase: PDB chemical components / ID: OYO
NameName: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

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Chemical information

Composition
Formula: C8H14O5 / Number of atoms: 27 / Formula weight: 190.194 / Formal charge: 0
Others

8ic1

Type: non-polymer / PDB classification: HETAIN / Three letter code: OYO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IC1
History
Create componentFeb 24, 2023
Initial releaseAug 16, 2023
External linksUniChem / ChemSpider / 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 3.385CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1
OpenEye OEToolkits 2.0.7CC1(OC2C(C(OC2O1)CO)O)C

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SMILES CANONICAL

CACTVS 3.385CC1(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1
OpenEye OEToolkits 2.0.7CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)CO)O)C

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InChI

InChI 1.06InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1

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InChIKey

InChI 1.06JAUQZVBVVJJRKM-JWXFUTCRSA-N

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PDB entries

Showing all 1 items

PDB-8ic1:
endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides

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