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CHEBI:196420 - 1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol

ChEBI IDCHEBI:196420
ChEBI Name1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82O8
Net Charge0
Average Mass715.110
Monoisotopic Mass714.60097
SMILESCCCCCCCCCCCCCCCCCCC(CO[C@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-36(35-48-42-41(47)40(46)39(45)37(34-43)50-42)49-38(44)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h36-37,39-43,45-47H,3-35H2,1-2H3/t36?,37?,39-,40?,41+,42+/m1/s1
InChIKeyUYWVHVKHISMCFK-NKXYKAQSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol (CHEBI:196420) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
1-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl hexadecanoate
Manual XrefsDatabases
24822113ChemSpider
LMFA13010004LIPID MAPS