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CHEBI:62120 - 2-O-palmitoyl-2'-O-sulfo-3-O-triacontanoyl-α,α-trehalose

ChEBI IDCHEBI:62120
ChEBI Name2-O-palmitoyl-2'-O-sulfo-3-O-triacontanoyl-α,α-trehalose
Stars
ASCII Name2-O-palmitoyl-2'-O-sulfo-3-O-triacontanoyl-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 triacontanoic acid.
Last Modified25 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC58H110O16S
Net Charge0
Average Mass1095.569
Monoisotopic Mass1094.75146
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C58H110O16S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-35-37-39-41-43-49(61)71-54-52(64)48(46-60)70-58(73-57-55(74-75(66,67)68)53(65)51(63)47(45-59)69-57)56(54)72-50(62)44-42-40-38-36-33-31-16-14-12-10-8-6-4-2/h47-48,51-60,63-65H,3-46H2,1-2H3,(H,66,67,68)/t47-,48-,51-,52-,53+,54+,55-,56-,57-,58-/m1/s1
InChIKeyLJXQGLZBCCMZOI-RQQDWODESA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-palmitoyl-2'-O-sulfo-3-O-triacontanoyl-α,α-trehalose (CHEBI:62120) has functional parent α,α-trehalose (CHEBI:16551)
2-O-palmitoyl-2'-O-sulfo-3-O-triacontanoyl-α,α-trehalose (CHEBI:62120) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
2-O-palmitoyl-3-O-triacontanoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations