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CHEBI:184432 - TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)

ChEBI IDCHEBI:184432
ChEBI NameTG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H98O6
Net Charge0
Average Mass867.394
Monoisotopic Mass866.73634
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,38,41,53H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-37,39-40,42-52H2,1-3H3/b10-7-,19-16-,27-25-,32-30-,41-38-/t53-/m0/s1
InChIKeyVJHOSWNDCMVTMO-RTGLKXJDSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0) (CHEBI:184432) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-octadecanoyloxy-3-pentadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
59653213ChemSpider
HMDB0043716HMDB