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CHEBI:60093 - SL1278

ChEBI IDCHEBI:60093
ChEBI NameSL1278
Stars
DefinitionA derivative of α,α-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions.
Last Modified6 July 2011
SubmitterR. Stephan
DownloadsMolfile
FormulaC68H129O17S
Net Charge-1
Average Mass1250.830
Monoisotopic Mass1249.89560
SMILESCCCCCCCCCCCCCCCC(=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]1OC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C68H130O17S/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-56(71)54(9)44-52(7)42-50(5)40-48(3)39-49(4)41-51(6)43-53(8)45-55(10)66(76)83-63-61(74)58(47-70)81-68(84-67-64(85-86(77,78)79)62(75)60(73)57(46-69)80-67)65(63)82-59(72)38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h48-58,60-65,67-71,73-75H,11-47H2,1-10H3,(H,77,78,79)/p-1/t48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,60-,61-,62+,63+,64-,65-,67-,68-/m1/s1
InChIKeyJFLBEYZSJQKXCL-GSWBZTEGSA-M
ChEBI Ontology
Outgoing Relation(s)
SL1278 (CHEBI:60093) has functional parent α,α-trehalose (CHEBI:16551)
SL1278 (CHEBI:60093) is a organosulfate oxoanion (CHEBI:58958)
SL1278 (CHEBI:60093) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
SL1278 (CHEBI:60093) is a trehalose sulfate (CHEBI:60117)
IUPAC Name 
2-O-sulfonato-α-D-glucopyranosyl 3-O-[(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-hexadecanoyl-α-D-glucopyranoside
Citations