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- ChemComp-M7P: 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: M7P
NameName: 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
Synonyms: D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE; 7-O-phosphono-D-glycero-alpha-D-manno-heptose;

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Chemical information

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

1x92

289

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: M7P / Model coordinates PDB-ID: 1X92 / Parent comp.: 289
History
Create componentAug 20, 2004
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 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 10.04O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([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-QTNLNCNHSA-N

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SYSTEMATIC NAME

ACDLabs 10.047-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
OpenEye OEToolkits 1.5.0[(2R)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl] dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-1x92:
CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE

PDB-2xbl:
Crystal structure of GmhA from Burkholderia pseudomallei in complex with product

PDB-5lu5:
A quantum half-site enzyme

PDB-5lu7:
Heptose isomerase GmhA mutant - D61A

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