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CHEBI:170722 - TG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:170722
ChEBI NameTG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H98O6
Net Charge0
Average Mass855.383
Monoisotopic Mass854.73634
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,52H,4-14,17,21-22,26-51H2,1-3H3/b18-15-,19-16-,23-20-,25-24-/t52-/m0/s1
InChIKeyKFZNPOWLZFPQOG-NZNUXFJPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z)) (CHEBI:170722) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0048579HMDB
59657700ChemSpider