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- ChemComp-PSV: alpha-D-psicofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: PSV
NameName: alpha-D-psicofuranose / Synonyms: alpha-D-psicose; D-psicose; psicose

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Chemical information

Composition
Formula: C6H12O6 / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0
Others

3ito

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: PSV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ITO
History
Create componentSep 10, 2009
Modify descriptorJun 4, 2011
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / 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

ACDLabs 11.02OC1C(O)C(OC1(O)CO)CO
CACTVS 3.352OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(O1)(CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1

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InChIKey

InChI 1.03RFSUNEUAIZKAJO-KAZBKCHUSA-N

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SYSTEMATIC NAME

ACDLabs 11.02alpha-D-psicofuranose
OpenEye OEToolkits 1.6.1(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DPsifa

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COMMON NAME

GMML 1.0a-D-psicofuranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Psif

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Psi

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PDB entries

Showing all 3 items

PDB-3ito:
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant D327N in complex with D-psicose

PDB-8jq5:
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allulose

PDB-9x6n:
Crystal structure of Klebsiella oxytoca ribitol dehydrogenase in complex with D-allulose

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