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CHEBI:188303 - alpha,alpha'-Trehalose 4,6-dioleate

ChEBI IDCHEBI:188303
ChEBI Namealpha,alpha'-Trehalose 4,6-dioleate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H90O13
Net Charge0
Average Mass875.235
Monoisotopic Mass874.63814
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)C(O)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(50)57-36-38-46(43(54)45(56)48(59-38)61-47-44(55)42(53)41(52)37(35-49)58-47)60-40(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-49,52-56H,3-36H2,1-2H3/t37?,38?,41-,42?,43?,44-,45?,46-,47-,48-/m1/s1
InChIKeySEYHXKPDZMCTTN-ICJRVPQTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
alpha,alpha'-Trehalose 4,6-dioleate (CHEBI:188303) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3S,6R)-4,5-dihydroxy-3-octadecanoyloxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl octadecanoate
Manual XrefsDatabases
LMSL03001273LIPID MAPS