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- ChemComp-VTB: 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: VTB
NameName: 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose
Synonyms: [(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate;

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Chemical information

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

5a5l

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: VTB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A5L
History
Create componentJun 19, 2015
Initial releaseOct 14, 2015
Modify nameNov 12, 2018
Other modificationJul 3, 2020
Modify nameJul 17, 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

CACTVS 3.385OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C(C1C(C(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](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C([C@H]1[C@H]([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)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1

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InChIKey

InChI 1.03CBIDVWSRUUODHL-CXNFULCWSA-N

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PDB entries

Showing all 1 items

PDB-5a5l:
Structure of dual function FBPase SBPase from Thermosynechococcus elongatus

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