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- ChemComp-GTR: beta-D-galactopyranuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: GTR
NameName: beta-D-galactopyranuronic acid
Synonyms: beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid

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Chemical information

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

1kcc

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: GTR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1KCC
History
Create componentNov 15, 2001
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
Modify nameOct 6, 2015
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 / 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 12.01C1(C(C(C(C(C(=O)O)O1)O)O)O)O
CACTVS 3.385O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1O)O)C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6[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-DTEWXJGMSA-N

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SYSTEMATIC NAME

ACDLabs 12.01beta-D-galactopyranuronic acid
OpenEye OEToolkits 1.7.6(2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGalpAb

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COMMON NAME

GMML 1.0b-D-galactopyranuronic acid

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-GalpA

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0GalA

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PDB entries

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