CHEBI:184827 - TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z))

ChEBI IDCHEBI:184827
ChEBI NameTG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31-32,35,41,44,56H,4-19,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,31-27-,35-32-,44-41-/t56-/m0/s1
InChIKeyUOZSOMZYWBVFSX-GFQQWRFCSA-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)/20:3(5Z,8Z,11Z)/18:1(9Z)) (CHEBI:184827) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59658387ChemSpider
HMDB0049325HMDB