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- ChemComp-MAV: alpha-D-mannopyranuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: MAV
NameName: alpha-D-mannopyranuronic acid
Synonyms: alpha-D-mannuronic acid; D-mannuronic acid; mannuronic acid

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Chemical information

Composition
Formula: C6H10O7 / Number of atoms: 23 / Formula weight: 194.139 / Formal charge: 0
Others

1j1n

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: MAV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1J1N
History
Create componentDec 18, 2002
Modify descriptorJun 4, 2011
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
External linksUniChem / ChemSpider / ChEBI / DrugBank / Metabolights / PubChem / PubChem_TPharma / 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 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6-/m0/s1

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InChIKey

InChI 1.03AEMOLEFTQBMNLQ-BYHBOUFCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01alpha-D-mannopyranuronic acid
OpenEye OEToolkits 1.7.0(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DManpAa

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COMMON NAME

GMML 1.0a-D-mannopyranuronic acid

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-ManpA

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0ManA

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PDB entries

Showing all 3 items

PDB-4ovp:
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE

PDB-7o6h:
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with tri-mannuronic acid

PDB-7oof:
Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tri-mannuronic acid

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