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- ChemComp-JAZ: 6-PHOSPHOCYCLOPHELLITOL -

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Basic information

EntryDatabase: PDB chemical components / ID: JAZ
NameName: 6-phosphocyclophellitol

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Chemical information

Composition
Formula: C7H15O9P / Number of atoms: 32 / Formula weight: 274.162 / Formal charge: 0
Others

5foo

Type: non-polymer / PDB classification: HETAIN / Three letter code: JAZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FOO
History
Create componentNov 24, 2015
Initial releaseFeb 17, 2016
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 3.385O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(C1O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1

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InChIKey

InChI 1.03UJSILGAUEGUBGA-NYLBLOMBSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6[(2R,3S,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-5foo:
6-phospho-beta-glucosidase

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