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CHEBI:62122 - 3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

ChEBI IDCHEBI:62122
ChEBI Name3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose
Stars
ASCII Name3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-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 (2S,4S)-2,4-dimethyldocosanoic acid.
Last Modified6 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC52H98O16S
Net Charge0
Average Mass1011.407
Monoisotopic Mass1010.65756
SMILESCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](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/C52H98O16S/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)66-47-45(57)42(38-54)64-52(67-51-48(68-69(60,61)62)46(58)44(56)41(37-53)63-51)49(47)65-43(55)35-33-31-29-27-25-22-18-16-14-12-10-8-6-2/h39-42,44-49,51-54,56-58H,5-38H2,1-4H3,(H,60,61,62)/t39-,40-,41+,42+,44+,45+,46-,47-,48+,49+,51+,52+/m0/s1
InChIKeyYNPYFRSVOSNSOA-KVIUZPNGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62122) has functional parent α,α-trehalose (CHEBI:16551)
3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62122) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62122) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
3-O-[(2S,4S)-2,4-dimethyldocosanoyl]-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations