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CHEBI:184836 - TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))

ChEBI IDCHEBI:184836
ChEBI NameTG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,35,38,56H,4-15,17-18,20,22-23,28,32-34,36-37,39-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,38-35-/t56-/m0/s1
InChIKeyKRLHDGYVWBZNFC-RELIOVOPSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) (CHEBI:184836) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
59657970ChemSpider
HMDB0048877HMDB