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- ChemComp-M6D: 6-O-phosphono-beta-D-mannopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: M6D
NameName: 6-O-phosphono-beta-D-mannopyranose
Synonyms: beta-D-mannose-6-phosphate; 6-O-phosphono-beta-D-mannose; 6-O-phosphono-D-mannose; 6-O-phosphono-mannose

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Chemical information

Composition
Formula: C6H13O9P / Number of atoms: 29 / Formula weight: 260.136 / Formal charge: 0
Others

2rl8

BMA

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: M6D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RL8 / Parent comp.: BMA
History
Create componentNov 21, 2007
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / HMDB / Metabolights / 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)OCC1OC(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1

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InChIKey

InChI 1.03NBSCHQHZLSJFNQ-RWOPYEJCSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-O-phosphono-beta-D-mannopyranose
OpenEye OEToolkits 1.5.0[(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Manp6PO3

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PDB entries

Showing all 4 items

PDB-2rl8:
Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 6.5 bound to M6P

PDB-2rlb:
Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 6.5 bound to M6P in absence of Mn

PDB-3k41:
Crystal structure of sCD-MPR mutant E19Q/K137M bound to Man-6-P

PDB-4foe:
Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate

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