EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90073 - TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]

ChEBI IDCHEBI:90073
ChEBI NameTG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]
Stars
DownloadsMolfile
FormulaC55H98O6
Net Charge0
Average Mass855.383
Monoisotopic Mass854.73634
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,52H,4-15,17-18,20,22-23,29-51H2,1-3H3/b19-16-,24-21-,27-25-,28-26-/t52-/m1/s1
InChIKeyWHSWXEYWNPTUPW-HNJDVRDNSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] (CHEBI:90073) is a triglyceride (CHEBI:17855)
Synonyms  Source
TG(16:1/18:1/18:2)HMDB
Tracylglycerol(52:4)HMDB
TAG(16:1/18:1/18:2)HMDB
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoateHMDB
TG(16:1n7/18:1n9/18:2n6)HMDB
TAG(16:1n7/18:1n9/18:2n6)HMDB
Manual XrefsDatabases
TriacylglycerolsMetaCyc
HMDB0005440HMDB
TriacylglycerolWikipedia
Citations