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CHEBI:185562 - TG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185562
ChEBI NameTG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,40,43,56H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,43-40-/t56-/m0/s1
InChIKeyVSLOFFKHJIXKJO-NHRHWWDJSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(18:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185562) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-octadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
HMDB0044934HMDB
59654324ChemSpider