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CHEBI:185461 - TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:185461
ChEBI NameTG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H98O6
Net Charge0
Average Mass903.427
Monoisotopic Mass902.73634
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C59H98O6/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/h8,11,17,20,25-28,30-32,35-36,39,41,44,56H,4-7,9-10,12-16,18-19,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1
InChIKeyQSCWIDULYCAAKD-DIWYLCTDSA-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(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:185461) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59659924ChemSpider
HMDB0049955HMDB