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- ChemComp-BEM: beta-D-mannopyranuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: BEM
NameName: beta-D-mannopyranuronic acid
Synonyms: beta-D-mannuronic acid; D-mannuronic acid; mannuronic acid; (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic

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Chemical information

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

2zaa

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: BEM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZAA
History
Create componentNov 5, 2007
Modify descriptorJun 4, 2011
Modify leaving atom flagDec 16, 2011
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Brenda / 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=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O

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SMILES CANONICAL

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

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SYSTEMATIC NAME

ACDLabs 10.04beta-D-mannopyranuronic acid
OpenEye OEToolkits 1.5.0(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DManpAb

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COMMON NAME

GMML 1.0b-D-mannopyranuronic acid

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-ManpA

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0ManA

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PDB entries

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PDB-4ozv:
Crystal Structure of the periplasmic alginate lyase AlgL

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