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CHEBI:184882 - TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:184882
ChEBI NameTG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H110O6
Net Charge0
Average Mass939.545
Monoisotopic Mass938.83024
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,32,58H,4-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-/t58-/m1/s1
InChIKeyXQLSSUQHKWUYMC-YZDRKDPZSA-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(11Z)/22:1(13Z)/18:2(9Z,12Z)) (CHEBI:184882) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0049351HMDB
59658412ChemSpider