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- ChemComp-M2P: D-MANNITOL-1,6-DIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: M2P
NameName: D-mannitol-1,6-diphosphate / Synonyms: 1,6-DI-O-PHOSPHONO-D-MANNITOL

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Chemical information

Composition
Formula: C6H16O12P2 / Number of atoms: 36 / Formula weight: 342.132 / Formal charge: 0
Others

1zaj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M2P / Model coordinates PDB-ID: 1ZAJ
History
Create componentApr 26, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / 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)C(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(COP(=O)(O)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](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1

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InChIKey

InChI 1.03WOYYTQHMNDWRCW-KVTDHHQDSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,6-di-O-phosphono-D-mannitol
OpenEye OEToolkits 1.5.0[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl] dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1zaj:
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor

PDB-2q8j:
Crystal Structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution

PDB-2qdh:
Fructose-1,6-bisphosphate aldolase from Leishmania mexicana in complex with mannitol-1,6-bisphosphate, a competitive inhibitor

PDB-2yce:
Structure of an Archaeal fructose-1,6-bisphosphate aldolase with the catalytic Lys covalently bound to the carbinolamine intermediate of the substrate.

PDB-5f2l:
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with competitive inhibitor talitol-1,6-bisphosphate

PDB-5f2m:
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with competitive inhibitor hexitol-1,6-bisphosphate

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