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D-talosamine

AlkaPlorer ID: AK008720

Synonym: '', 'beta-1,4-Poly-D-glucosamine', '2-amino-2-deoxy-beta-D-galactopyranose', 'chitosan', '2-amino-2-deoxy-D-glucopyranose', 'Glucosamine', 'beta-galactosylamine', '2-Amino-2-deoxy-D-talopyranose', 'D-GLUCOSAMINE', 'beta-D-glucosamine', 'Chitosamine', 'Glucosaminum INN-Latin', '2-amino-2-deoxy-D-talose', 'beta-D-Glucosamine', '2-DEOXY-2-AMINOGALACTOSE', 'D-Glucosamine', '4)-beta-D-GlcpN(1->n', '2-Amino-2-deoxy-D-glucose', '(3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol', 'beta-D-galactosamine', 'Deacetylchitin', 'Chitosan', '2-Amino-2-deoxy-beta-D-glucopyranose'

IUPAC Name: (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

Structure

SMILES: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O

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InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1

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InChIKey: MSWZFWKMSRAUBD-QZABAPFNSA-N

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Properties Information

Molecule Weight: 179.172

TPSA？: 116.17000000000002

MolLogP？: -3.2550000000000003

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Amyloid-beta A4 protein Activity nan None 10.1021/acsmedchemlett.0c00350
Homo sapiens Bile acid receptor FXR Potency 1.8 nM None
Homo sapiens Histone deacetylase 6 Inhibition -61.23 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.39 % 10.6019/CHEMBL4808148
Homo sapiens SH-SY5Y Activity nan None 10.1021/acsmedchemlett.0c00350
Homo sapiens Thyroid hormone receptor beta-1 Potency 3548.1 nM None
Homo sapiens Vitamin D receptor Potency 35.5 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 29.52 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 31.98 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.07 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.28 % 10.21203/rs.3.rs-23951/v1

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004094 CC(=O)O.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO MNXR172226
AKRT004095 CC(=O)O.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173166
AKRT004727 CC(=O)[CoA].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173169
AKRT004728 CC(=O)[CoA].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O MNXR132842
AKRT014945 Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)ccc12>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59832
AKRT019579 N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR172108
AKRT020153 N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O>>N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O None
AKRT020439 N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](OC2[C@@H](COP(=O)(O)O)O[C@@H](O)[C@H](N)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR176468
AKRT020444 N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR185522
AKRT020468 N[C@H]1[C@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_56040
AKRT020482 N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59135
AKRT020493 N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59826