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CHEBI:186294 - alpha,alpha'-Trehalose 6,6'-dipalmitate

ChEBI IDCHEBI:186294
ChEBI Namealpha,alpha'-Trehalose 6,6'-dipalmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82O13
Net Charge0
Average Mass819.127
Monoisotopic Mass818.57554
SMILESCCCCCCCCCCCCCCCC(=O)OCC1O[C@H](O[C@H]2OC(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)C(O)[C@H]2O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(45)53-31-33-37(47)39(49)41(51)43(55-33)57-44-42(52)40(50)38(48)34(56-44)32-54-36(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-44,47-52H,3-32H2,1-2H3/t33?,34?,37-,38-,39?,40?,41-,42?,43-,44-/m1/s1
InChIKeyMLBQQWHGQOOQRB-WYFSFNENSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
alpha,alpha'-Trehalose 6,6'-dipalmitate (CHEBI:186294) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3S,6R)-6-[(2R,3R,5S)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
Manual XrefsDatabases
LMSL03001272LIPID MAPS