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CHEBI:62118 - 3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

ChEBI IDCHEBI:62118
ChEBI Name3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose
Stars
ASCII Name3-O-(16-hydroxyhexadecanoyl)-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 16-hydroxypalmitic acid.
Last Modified6 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC44H82O17S
Net Charge0
Average Mass915.190
Monoisotopic Mass914.52727
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)CCCCCCCCCCCCCCCO
InChIInChI=1S/C44H82O17S/c1-2-3-4-5-6-7-8-10-13-17-20-23-26-29-36(49)59-42-40(58-35(48)28-25-22-19-16-14-11-9-12-15-18-21-24-27-30-45)38(51)34(32-47)57-44(42)60-43-41(61-62(53,54)55)39(52)37(50)33(31-46)56-43/h33-34,37-47,50-52H,2-32H2,1H3,(H,53,54,55)/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
InChIKeyDZDHEYUJAMAJHI-MWHATQTKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) has functional parent α,α-trehalose (CHEBI:16551)
3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62118) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
3-O-(16-hydroxyhexadecanoyl)-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Citations