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CHEBI:187361 - 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol

ChEBI IDCHEBI:187361
ChEBI Name1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](COC[C@@H](O)CO)OC
InChIInChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29-2)24-30-23-25(28)22-27/h4-5,7-8,10-11,13-14,16-17,19-20,25-28H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t25-,26+/m0/s1
InChIKeyCZCDHKINCYAFPF-QRWVTZTPSA-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-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol (CHEBI:187361) is a alkylglycerol (CHEBI:52575)
IUPAC Name 
(2S)-3-[(2R,4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaenoxy]propane-1,2-diol
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