2-Aminoethanesulfonic acid; N-(7,13-Dihydroxy-2E-octadecenoyl)
AlkaPlorer ID: AK285348
Synonym: N-(7,13-Dihydroxy-2-octadecenoyl)taurine, Lipotaurine
IUPAC Name: 2-[[(E)-7,13-dihydroxyoctadec-2-enoyl]amino]ethanesulfonic acid
Structure
SMILES: CCCCCC(O)CCCCCC(O)CCC/C=C/C(=O)NCCS(=O)(=O)O
InChI: InChI=1S/C20H39NO6S/c1-2-3-6-11-18(22)12-7-4-8-13-19(23)14-9-5-10-15-20(24)21-16-17-28(25,26)27/h10,15,18-19,22-23H,2-9,11-14,16-17H2,1H3,(H,21,24)(H,25,26,27)/b15-10+
InChIKey: BUUITCQYMHVSNP-XNTDXEJSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tetrahymena thermophila | Tetrahymena | Tetrahymenidae | Hymenostomatida | Oligohymenophorea | Ciliophora | None | Eukaryota |
Properties Information
Molecule Weight: 421.6000000000001
TPSA？: 123.93
MolLogP？: 2.969500000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|