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CHEBI:180895 - TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:180895
ChEBI NameTG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H92O6
Net Charge0
Average Mass897.379
Monoisotopic Mass896.68939
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C59H92O6/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/h7-8,10-11,16-21,25-28,30-32,34,36,38-39,41,56H,4-6,9,12-15,22-24,29,33,35,37,40,42-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-/t56-/m0/s1
InChIKeyDXDPVVLFFAFYEW-YTJGPCBZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:180895) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual XrefsDatabases
HMDB0055454HMDB
59663946ChemSpider