Taurolipid B

AlkaPlorer ID: AK100956

Synonym: None

IUPAC Name: 2-[[(2S,3R,7R,13S)-2,7,13-trihydroxy-3-pentanoyloxyoctadecanoyl]amino]ethanesulfonic acid

Structure

SMILES: CCCCC[C@H](O)CCCCC[C@@H](O)CCC[C@@H](OC(=O)CCCC)[C@H](O)C(=O)NCCS(=O)(=O)O

copy

InChI: InChI=1S/C25H49NO9S/c1-3-5-8-12-20(27)13-9-7-10-14-21(28)15-11-16-22(35-23(29)17-6-4-2)24(30)25(31)26-18-19-36(32,33)34/h20-22,24,27-28,30H,3-19H2,1-2H3,(H,26,31)(H,32,33,34)/t20-,21+,22+,24-/m0/s1

copy

InChIKey: GFCFHVGCEWOQPR-NXYDZRKXSA-N

copy

Source

Properties Information

Molecule Weight: 539.7320000000003

TPSA: 170.45999999999998

MolLogP: 2.8762000000000008

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information