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- ChemComp-15L: D-galactaro-1,5-lactone -

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Basic information

EntryDatabase: PDB chemical components / ID: 15L
NameName: D-galactaro-1,5-lactone
Synonyms: galactaro-1,5-lactone; (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-oxidotetrahydro-2H-pyran-2-carboxylate

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Chemical information

Composition
Formula: C6H8O7 / Number of atoms: 21 / Formula weight: 192.124 / Formal charge: 0
Others

3rfv

Type: D-saccharide / PDB classification: ATOMS / Three letter code: 15L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RFV
History
Create componentApr 11, 2011
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / Metabolights / PubChem / 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]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.0C1(C(C(OC(=O)C1O)C(=O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1

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InChIKey

InChI 1.03YLKFQNUGXOLRNI-KXMYSMCESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
OpenEye OEToolkits 1.7.0(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-3rfv:
Crystal structure of Uronate dehydrogenase from Agrobacterium tumefaciens complexed with NADH and product

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