L-ascorbic acid   Click here for help

GtoPdb Ligand ID: 4781

Synonyms: vitamin C
PDB Ligand
Comment: Used as a nutritional supplement to treat vitamin C deficiency (scurvy) and to help promote wound and bone healing.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 107.22
Molecular weight 176.03
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(C1OC(=O)C(=C1O)O)O
Isomeric SMILES OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChI Key CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Cofactor in Enzyme Reactions
Enzyme Reference
Dopamine beta-hydroxylase (dopamine beta-monooxygenase)
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Sodium-dependent vitamin C transporter 2 1
Sodium-dependent vitamin C transporter 1 1
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference