EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196846 - TG(12:0/15:1(9Z)/18:3(6Z,9Z,12Z))[iso6]

ChEBI IDCHEBI:196846
ChEBI NameTG(12:0/15:1(9Z)/18:3(6Z,9Z,12Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84O6
Net Charge0
Average Mass757.194
Monoisotopic Mass756.62679
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC
InChIInChI=1S/C48H84O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h16-17,19-20,23-24,27,29,45H,4-15,18,21-22,25-26,28,30-44H2,1-3H3/b19-16-,20-17-,24-23-,29-27-/t45-/m1/s1
InChIKeyLMNOOKVCPTZECR-LRLNYYKESA-N
ChEBI Ontology
Outgoing Relation(s)
TG(12:0/15:1(9Z)/18:3(6Z,9Z,12Z))[iso6] (CHEBI:196846) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-dodecanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
113371922ChemSpider
LMGL03013303LIPID MAPS