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- ChemComp-H2P: 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: H2P
NameName: 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Synonyms: HEPTULOSE-2-PHOSPHATE; 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose;

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Chemical information

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

6gpb

GLC

Type: D-saccharide / PDB classification: ATOMS / Three letter code: H2P / Model coordinates PDB-ID: 6GPB / Parent comp.: GLC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / DrugBank / HMDB / 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 10.04O=P(OC1(OC(C(O)C(O)C1O)CO)C)(O)O
CACTVS 3.341C[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341C[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1

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InChIKey

InChI 1.03QZBAZODTRUGOQS-XUUWZHRGSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
OpenEye OEToolkits 1.5.0[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-oxan-2-yl] dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-6gpb:
REFINED CRYSTAL STRUCTURE OF THE PHOSPHORYLASE-HEPTULOSE 2-PHOSPHATE-OLIGOSACCHARIDE-AMP COMPLEX

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