EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180858 - TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:180858
ChEBI NameTG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,43-40-/t56-/m1/s1
InChIKeyODQPSLIHPJJOPS-OABWZVSESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:180858) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
LMGL03010616LIPID MAPS
7823528ChemSpider