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CHEBI:62121 - 3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

ChEBI IDCHEBI:62121
ChEBI Name3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose
Stars
ASCII Name3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose
DefinitionA sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with 2-methyloctadecanoic acid.
Last Modified6 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H88O16S
Net Charge0
Average Mass941.272
Monoisotopic Mass940.57931
SMILESCCCCCCCCCCCCCCCCC(C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C47H88O16S/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35(3)45(54)61-42-40(52)37(34-49)59-47(62-46-43(63-64(55,56)57)41(53)39(51)36(33-48)58-46)44(42)60-38(50)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h35-37,39-44,46-49,51-53H,4-34H2,1-3H3,(H,55,56,57)/t35?,36-,37-,39-,40-,41+,42+,43-,44-,46-,47-/m1/s1
InChIKeyJKDUJLMQCDQDPP-TYJYIGFGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62121) has functional parent α,α-trehalose (CHEBI:16551)
3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62121) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62121) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations