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CHEBI:184782 - TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:184782
ChEBI NameTG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114O6
Net Charge0
Average Mass991.621
Monoisotopic Mass990.86154
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-/t62-/m1/s1
InChIKeyNKOKJDPLGJQWEN-GPIJDVMLSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:184782) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] docosanoate
Manual XrefsDatabases
59655777ChemSpider
HMDB0046503HMDB