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

AlkaPlorer ID: AK285354

Synonym: Taurolipid B

IUPAC Name: None

Structure

SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCC(O)CCCCCC(O)CCCCC)C(O)C(=O)NCCS(=O)(=O)O

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InChI: InChI=1S/C36H71NO9S/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-34(40)46-33(35(41)36(42)37-29-30-47(43,44)45)27-22-26-32(39)25-20-17-19-24-31(38)23-18-6-4-2/h31-33,35,38-39,41H,3-30H2,1-2H3,(H,37,42)(H,43,44,45)

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InChIKey: SFKQBMNWEXMGIW-UHFFFAOYSA-N

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Reference

CAS: 115134-18-4

Source

Properties Information

Molecule Weight: 694.0290000000006

TPSA: 170.45999999999998

MolLogP: 7.167300000000007

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