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CHEBI:185114 - TG(20:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:185114
ChEBI NameTG(20:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114O6
Net Charge0
Average Mass991.621
Monoisotopic Mass990.86154
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,36,42,45,62H,4-8,10-11,13-17,19-20,22-24,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,36-27-,45-42-/t62-/m1/s1
InChIKeyVNEYFIOINOJOEA-ZMVCFNQWSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(20:1(11Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:185114) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
59660504ChemSpider
HMDB0050579HMDB