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CHEBI:182402 - 2-O-Sulfo-2'-stearoyl-alpha,alpha-trehalose

ChEBI IDCHEBI:182402
ChEBI Name2-O-Sulfo-2'-stearoyl-alpha,alpha-trehalose
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H56O15S
Net Charge0
Average Mass688.830
Monoisotopic Mass688.33399
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)43-27-25(36)23(34)20(18-31)41-29(27)44-30-28(45-46(38,39)40)26(37)24(35)21(19-32)42-30/h20-21,23-32,34-37H,2-19H2,1H3,(H,38,39,40)/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
InChIKeyFJSYDIDIVMGPGY-VEFFTAHGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-Sulfo-2'-stearoyl-alpha,alpha-trehalose (CHEBI:182402) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulooxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] octadecanoate
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C22177KEGG COMPOUND