EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89021 - TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]

ChEBI IDCHEBI:89021
ChEBI NameTG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]
Stars
DownloadsMolfile
FormulaC53H94O6
Net Charge0
Average Mass827.329
Monoisotopic Mass826.70504
SMILES[H][C@](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t50-/m1/s1
InChIKeyLCCSSJALYOQLAY-PXKDUDJKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] (CHEBI:89021) is a triglyceride (CHEBI:17855)
Synonyms  Source
TAG(50:4)HMDB
Tracylglycerol(16:1/16:0/18:3)HMDB
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoateHMDB
TriglycerideHMDB
TG(50:4)HMDB
TG(16:1n7/16:0/18:3n3)HMDB
Manual XrefsDatabases
HMDB0010424HMDB
Citations