2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]propanoic acid
AlkaPlorer ID: AK251001
Synonym: None
IUPAC Name: 2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
Structure
SMILES: CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC(C)C(=O)O)OC(CO)C(O)C1O
InChI: InChI=1S/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)18(30)32-10(5-23)15(16)34-19-11(20-7(2)24)14(27)13(26)9(4-22)33-19/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)
InChIKey: WQKIVDUWFNRJHE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus | Staphylococcaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 496.4660000000002
TPSA？: 240.54999999999995
MolLogP？: -2.9315999999999938
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|