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CHEBI:217071 - Taurolipid B

ChEBI IDCHEBI:217071
ChEBI NameTaurolipid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H49NO9S
Net Charge0
Average Mass539.732
Monoisotopic Mass539.31280
SMILESCCCCC[C@H](O)CCCCC[C@@H](O)CCC[C@@H](OC(=O)CCCC)[C@H](O)C(=O)NCCS(=O)(=O)O
InChIInChI=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
InChIKeyGFCFHVGCEWOQPR-NXYDZRKXSA-N
ChEBI Ontology
Outgoing Relation(s)
Taurolipid B (CHEBI:217071) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-[[(2S,3R,7R,13S)-2,7,13-trihydroxy-3-pentanoyloxyoctadecanoyl]amino]ethanesulonic acid
Manual XrefsDatabases
78439946ChemSpider