2-[(8,15-Dihydroxy-1-oxohexadecyl)amino]ethanesulfonic acid; 15-O-β-D-Glucopyranoside
AlkaPlorer ID: AK264681
Synonym: N-[15-(β-D-Glucopyranosyloxy)-8-hydroxypalmitoyl]taurine
IUPAC Name: 2-[[8-hydroxy-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]amino]ethanesulfonic acid
Structure
SMILES: CC(CCCCCCC(O)CCCCCCC(=O)NCCS(=O)(=O)O)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C24H47NO11S/c1-17(35-24-23(31)22(30)21(29)19(16-26)36-24)10-6-2-3-7-11-18(27)12-8-4-5-9-13-20(28)25-14-15-37(32,33)34/h17-19,21-24,26-27,29-31H,2-16H2,1H3,(H,25,28)(H,32,33,34)
InChIKey: LPQGAEUEHFMJIW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhagoletis cerasi | Rhagoletis | Tephritidae | Diptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 557.7030000000003
TPSA？: 203.08
MolLogP？: 0.2375000000000036
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|