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CHEBI:184696 - TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:184696
ChEBI NameTG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H106O6
Net Charge0
Average Mass983.557
Monoisotopic Mass982.79894
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C65H106O6/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/h9,12,16,18-19,21,25-29,32,34,36,39,42,44,47-48,51,62H,4-8,10-11,13-15,17,20,22-24,30-31,33,35,37-38,40-41,43,45-46,49-50,52-61H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,36-27-,42-39-,47-44-,51-48-/t62-/m1/s1
InChIKeyOPGADZLRJKXWIM-CMVJYLEDSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:184696) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0051825HMDB
59659694ChemSpider