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CHEBI:170771 - TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))

ChEBI IDCHEBI:170771
ChEBI NameTG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H98O6
Net Charge0
Average Mass855.383
Monoisotopic Mass854.73634
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,52H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t52-/m1/s1
InChIKeyDDQSITQFLMKYCU-QSLQNDJJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z)) (CHEBI:170771) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0044996HMDB
59654376ChemSpider