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CHEBI:186308 - 1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol

ChEBI IDCHEBI:186308
ChEBI Name1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H74O9
Net Charge0
Average Mass675.001
Monoisotopic Mass674.53328
SMILESC[C@@H](O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO[C@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C38H74O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-32,34-41,43-45H,2-30H2,1H3/t31-,32-,34?,35-,36?,37+,38+/m1/s1
InChIKeyJDZCCUPQBXSRFJ-QXBHPSIXSA-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)-29-keto-(1,3R,31R)-dotriacontanetriol (CHEBI:186308) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,30R)-2,30-dihydroxy-32-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydotriacontan-4-one
Manual XrefsDatabases
LMFA13010030LIPID MAPS
24822139ChemSpider