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CHEBI:184825 - TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:184825
ChEBI NameTG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H102O6
Net Charge0
Average Mass931.481
Monoisotopic Mass930.76764
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-29,32,34,37,43,46,58H,4-8,10-11,13-16,19,22-24,30-31,33,35-36,38-42,44-45,47-57H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-,46-43-/t58-/m1/s1
InChIKeyMOQQWLHKDKFXSS-IYSOCAPISA-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)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) (CHEBI:184825) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0050673HMDB
59660591ChemSpider