2-Aminoethanesulfonic acid; N-(3,7,13-Trihydroxyoctadecanoyl) 

AlkaPlorer ID: AK285362

Synonym: N-(3,7,13-Trihydroxyoctadecanoyl)taurine, Lysotaurolipid A 

IUPAC Name: 2-(3,7,13-trihydroxyoctadecanoylamino)ethanesulfonic acid

Structure

SMILES: CCCCCC(O)CCCCCC(O)CCCC(O)CC(=O)NCCS(=O)(=O)O

copy

InChI: InChI=1S/C20H41NO7S/c1-2-3-5-9-17(22)10-6-4-7-11-18(23)12-8-13-19(24)16-20(25)21-14-15-29(26,27)28/h17-19,22-24H,2-16H2,1H3,(H,21,25)(H,26,27,28)

copy

InChIKey: IEYSVQJKQVTDTN-UHFFFAOYSA-N

copy

Reference

PubChem CID: 53912785

CAS: 115900-04-4

Source

Properties Information

Molecule Weight: 439.6150000000001

TPSA: 144.15999999999997

MolLogP: 2.1643

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information