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CHEBI:177601 - TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]

ChEBI IDCHEBI:177601
ChEBI NameTG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H106O6
Net Charge0
Average Mass911.491
Monoisotopic Mass910.79894
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C59H106O6/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/h17-18,20-21,26-27,30-31,56H,4-16,19,22-25,28-29,32-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-/t56-/m1/s1
InChIKeyVWXJLMSFRQUUMS-SSLMJEBCSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3] (CHEBI:177601) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] icosanoate
Manual XrefsDatabases
7823445ChemSpider
HMDB0045878HMDB
LMGL03010533LIPID MAPS