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CHEBI:186689 - 1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol

ChEBI IDCHEBI:186689
ChEBI Name1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O4
Net Charge0
Average Mass622.975
Monoisotopic Mass622.49611
SMILESO=C(CCCCCC1CCC2C(C1)C1C3CCC3C21)OC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C41H66O4/c42-24-28(25-45-37(43)12-8-5-7-11-27-14-16-34-36(23-27)41-32-20-18-30(32)39(34)41)44-21-9-4-2-1-3-6-10-26-13-15-33-35(22-26)40-31-19-17-29(31)38(33)40/h26-36,38-42H,1-25H2/t26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41?/m0/s1
InChIKeyWLTUUFVVOYKKKW-KIIYQKKBSA-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-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol (CHEBI:186689) is a diradylglycerol (CHEBI:76578)
IUPAC Name 
[(2S)-3-hydroxy-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 6-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)hexanoate
Manual XrefsDatabases
LMGL02070015LIPID MAPS
113386113ChemSpider