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- ChemComp-S7P: 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: S7P
NameName: 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
Synonyms: 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose; 1-C-(hydroxymethyl)-6-O-phosphono-D-altrose;

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Chemical information

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

4r75

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: S7P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4R75
History
Create componentAug 28, 2014
Initial releaseAug 12, 2015
Modify atom idMay 4, 2020
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify component atom idJul 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)(CO)C(O)C1O
CACTVS 3.385OC[C]1(O)O[CH]([CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C(C1C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@]1(O)O[C@H]([C@H](O)CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1

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InChIKey

InChI 1.03RKCHIPUTSFLEHR-BNWJMWRWSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
OpenEye OEToolkits 1.7.6[(2R)-2-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-4r75:
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous sedoheptulose-7-phosphate bound)

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