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- ChemComp-SWA: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: SWA
NameName: 1S-8ab-octahydro-indolizidine-1A,2A,8B-triol / Synonyms: SWAINSONINE

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Chemical information

Composition
Formula: C8H15NO3 / Number of atoms: 27 / Formula weight: 173.21 / Formal charge: 0
Others

1hww

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SWA / Model coordinates PDB-ID: 1HWW
History
Create componentJan 15, 2001
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 10.04OC1CCCN2C1C(O)C(O)C2
CACTVS 3.341O[CH]1CCCN2C[CH](O)[CH](O)[CH]12
OpenEye OEToolkits 1.5.0C1CC(C2C(C(CN2C1)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@@H]1CCCN2C[C@@H](O)[C@@H](O)[C@@H]12
OpenEye OEToolkits 1.5.0C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O

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InChI

InChI 1.03InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03FXUAIOOAOAVCGD-WCTZXXKLSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol
OpenEye OEToolkits 1.5.0(1S,2R,4R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

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PDB entries

Showing all 5 items

PDB-1hww:
GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH SWAINSONINE

PDB-2ww0:
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482

PDB-2ww2:
Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482

PDB-2wyi:
Structure of the Streptococcus pyogenes family GH38 alpha-mannosidase complexed with swainsonine

PDB-3blb:
Crystal structure of Golgi Mannosidase II in complex with swainsonine at 1.3 Angstrom resolution

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