EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170428 - TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:170428
ChEBI NameTG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,39,42,56H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m1/s1
InChIKeyYAMGEDHUAILQMQ-JBTAZQKSSA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:170428) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0051421HMDB
59659346ChemSpider