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N-acetyl-D-galactosamine

AlkaPlorer ID: AK001009

Synonym: 'N-Acetylgalactosamine', 'N-Acetyl-D-chondrosamine', 'Acetylglucosamine', 'N-Acetyl-D-galactosamine', 'MLS001333154', 'MLS001333153', 'MLSMR', 'SMR000857252', 'N-acetylmannosamine', 'N-Acetyl-D-glucosamine', 'Chitin', 'N-Acetyl-D-mannosamine', 'chitin', '4)-beta-D-GlcpNAc(1->n', 'GalNAc', 'beta-1,4-Poly-N-acetyl-D-glucosamine', '2-Acetamido-2-deoxy-D-galactose', 'acetylglucosamine', 'beta-N-Acetylglucosamine', 'N-acetyl-D-mannosamine', 'N-acetyl-D-galactosamine', 'N-Acetylmannosamine', 'ManNAc', '2-Acetamido-2-deoxy-D-mannose', '1,4-(N-Acetyl-beta-D-glucosaminyl)n', 'D-GalNAc'

IUPAC Name: N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Structure

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

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InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1

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InChIKey: OVRNDRQMDRJTHS-ZTVVOAFPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Daphnia pulex Daphnia Daphniidae Diplostraca Branchiopoda Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 221.209

TPSA？: 122.74000000000002

MolLogP？: -2.237299999999999

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cricetulus griseus CHO Activity nan None 10.1021/acs.jmedchem.9b00833
Homo sapiens CD209 antigen Ki 11000000.0 nM 10.1016/j.bmc.2018.09.024
Homo sapiens C-type lectin domain family 4 member M IC50 6900000.0 nM 10.1016/j.ejmech.2021.113561
Homo sapiens Fibrinogen C domain-containing protein 1 IC50 2000000.0 nM None
Homo sapiens Fibrinogen C domain-containing protein 1 Ratio 1.0 None None
None Unchecked Activity nan None 10.1021/acs.jmedchem.9b00833

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001642 C=C(OP(=O)(O)O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO R01804
AKRT001643 C=C(OP(=O)(O)O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO enzymemap_40743
AKRT001644 C=C(OP(=O)(O)O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO MNXR173246
AKRT001997 CC(=O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO MNXR190119
AKRT001998 CC(=O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO MNXR173256
AKRT002799 CC(=O)N[C@@H]1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_61527
AKRT002800 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT002801 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_3182
AKRT002802 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@@H]1O enzymemap_87291
AKRT002803 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O R02705
AKRT002804 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_43743
AKRT002805 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO enzymemap_3322
AKRT002806 CC(=O)N[C@@H]1C(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)COP(=O)(O)O MNXR147766
AKRT002807 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O R01207
AKRT002808 CC(=O)N[C@@H]1C(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 MNXR173172
AKRT002842 CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O R01811
AKRT002873 CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO>>CC(=O)C(=O)O.CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O None
AKRT002874 CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_83328
AKRT002983 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_82618
AKRT003069 CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62475
AKRT003123 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O R01207
AKRT003555 CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O R00414