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CHEBI:186769 - 1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol

ChEBI IDCHEBI:186769
ChEBI Name1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H66O9
Net Charge0
Average Mass618.893
Monoisotopic Mass618.47068
SMILESC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCC(=O)CCO[C@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C34H66O9/c1-27(36)25-29(38)22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-28(37)23-24-42-34-33(41)32(40)31(39)30(26-35)43-34/h27,29-36,38-41H,2-26H2,1H3/t27-,29+,30?,31-,32?,33+,34+/m1/s1
InChIKeyRNTKVHFMPKUBEV-UOYNGNGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol (CHEBI:186769) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(25S,27R)-25,27-dihydroxy-1-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-3-one
Manual XrefsDatabases
LMFA13010023LIPID MAPS
24822132ChemSpider