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D-Glucosaminic acid

AlkaPlorer ID: AK028076

Synonym: None

IUPAC Name: (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid

Structure

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

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InChI: InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1

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InChIKey: UFYKDFXCZBTLOO-TXICZTDVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Medicago sativa Medicago Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 195.171

TPSA？: 144.24

MolLogP？: -3.5266999999999995

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Solute carrier organic anion transporter family member 1B1 IC50 11748.98 nM 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 63.53 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 25.61 % 10.1124/mol.112.084152
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015824 N/C(=C\[C@H](O)[C@H](O)CO)C(=O)O>>N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO RXN-15571
AKRT018584 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO>>N/C(=C\[C@H](O)[C@H](O)CO)C(=O)O RXN-15571
AKRT018585 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO>>N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O RXN-14729
AKRT018586 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO>>O=C(O)C(=O)C[C@H](O)[C@H](O)CO R01544