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CHEBI:171803 - TG(22:1(13Z)/22:1(13Z)/20:2n6)

ChEBI IDCHEBI:171803
ChEBI NameTG(22:1(13Z)/22:1(13Z)/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H122O6
Net Charge0
Average Mass1023.707
Monoisotopic Mass1022.92414
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,64H,4-17,19-20,22-24,31-63H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t64-/m1/s1
InChIKeyCCAPCPMRCZWVGW-MPSZHOFOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(22:1(13Z)/22:1(13Z)/20:2n6) (CHEBI:171803) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-docos-13-enoyl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
7825119ChemSpider
LMGL03012209LIPID MAPS
HMDB0051633HMDB