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CHEBI:185145 - TG(18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185145
ChEBI NameTG(18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H98O6
Net Charge0
Average Mass879.405
Monoisotopic Mass878.73634
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,28-29,33,36,54H,4-6,8-9,11-15,17-18,21-22,25,27,30-32,34-35,37-53H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,29-28-,36-33-/t54-/m0/s1
InChIKeySBMOAPXKEOFEGD-GVZRGWGESA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:185145) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
59658172ChemSpider
HMDB0049090HMDB