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CHEBI:62139 - 2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-α,α-trehalose

Default Structure
ChEBI IDCHEBI:62139
ChEBI Name2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-α,α-trehalose
Stars
ASCII Name2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-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 (2E,4S)-2,4-dimethyldocos-2-enoic acid, and at the 3-position with palmitoic acid.
Last Modified6 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC52H96O16S
Net Charge0
Average Mass1009.391
Monoisotopic Mass1008.64191
SMILESCCCCCCCCCCCCCCCCCC[C@H](C)/C=C(\C)C(=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)CCCCCCCCCCCCCCC
InChIInChI=1S/C52H96O16S/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(3)36-40(4)50(59)66-49-47(65-43(55)35-33-31-29-27-25-22-18-16-14-12-10-8-6-2)45(57)42(38-54)64-52(49)67-51-48(68-69(60,61)62)46(58)44(56)41(37-53)63-51/h36,39,41-42,44-49,51-54,56-58H,5-35,37-38H2,1-4H3,(H,60,61,62)/b40-36+/t39-,41+,42+,44+,45+,46-,47-,48+,49+,51+,52+/m0/s1
InChIKeyBVYLWIIJIYRLAT-ZKGQKARYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62139) has functional parent α,α-trehalose (CHEBI:16551)
2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62139) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62139) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
2-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations