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- ChemComp-M7B: 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: M7B
NameName: 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Synonyms: 7-O-phosphono-D-glycero-beta-D-manno-heptose; 7-O-phosphono-D-glycero-D-manno-heptose;

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Chemical information

Composition
Formula: C7H15O10P / Number of atoms: 33 / Formula weight: 290.162 / Formal charge: 0
Others

4e8y

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: M7B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4E8Y
History
Create componentApr 4, 2012
Initial releaseDec 21, 2012
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
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

ACDLabs 12.01O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1

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InChIKey

InChI 1.03SDADNVAZGVDAIM-ZUHYCWGWSA-N

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SYSTEMATIC NAME

ACDLabs 12.017-O-phosphono-D-glycero-beta-D-manno-heptopyranose
OpenEye OEToolkits 1.7.6[(2R)-2-oxidanyl-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]ethyl] dihydrogen phosphate

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PDB entries

Showing all 2 items

PDB-4e84:
Crystal Structure of Burkholderia cenocepacia HldA

PDB-4e8y:
Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor

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