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- ChemComp-IDR: alpha-L-idopyranuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: IDR
NameName: alpha-L-idopyranuronic acid
Synonyms: alpha-L-iduronic acid; L-iduronic acid; iduronic acid

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Chemical information

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

1hm2

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: IDR / Model coordinates PDB-ID: 1HM2
History
Create componentDec 12, 2000
Modify descriptorJun 4, 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 / ChEBI / DrugBank / Metabolights / 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-VCSGLWQLSA-N

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SYSTEMATIC NAME

ACDLabs 10.04alpha-L-idopyranuronic acid
OpenEye OEToolkits 1.5.0(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0LIdopAa

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COMMON NAME

GMML 1.0a-L-idopyranuronic acid

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-L-IdopA

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0IdoA

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PDB entries

Showing all 3 items

PDB-2v38:
Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived noeuromycin

PDB-3w82:
Human alpha-L-iduronidase in complex with iduronic acid

PDB-4obr:
Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid

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