EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89005 - TG(18:1(11Z)/14:0/18:1(9Z))[iso6]

ChEBI IDCHEBI:89005
ChEBI NameTG(18:1(11Z)/14:0/18:1(9Z))[iso6]
Stars
DownloadsMolfile
FormulaC53H98O6
Net Charge0
Average Mass831.361
Monoisotopic Mass830.73634
SMILES[H][C@](COC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,25,27,50H,4-18,20-21,23-24,26,28-49H2,1-3H3/b22-19-,27-25-/t50-/m1/s1
InChIKeyFYLBINGMERYUTQ-MSOJSNCQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(11Z)/14:0/18:1(9Z))[iso6] (CHEBI:89005) is a triglyceride (CHEBI:17855)
Synonyms  Source
TAG(50:2)HMDB
TG(50:2)HMDB
Tracylglycerol(18:1/14:0/18:1)HMDB
(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoateHMDB
Tracylglycerol(50:2)HMDB
TriglycerideHMDB
Manual XrefsDatabases
HMDB0010435HMDB
Citations