EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187705 - TG(19:0/19:1(9Z)/22:0)[iso6]

ChEBI IDCHEBI:187705
ChEBI NameTG(19:0/19:1(9Z)/22:0)[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H120O6
Net Charge0
Average Mass973.647
Monoisotopic Mass972.90849
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h30,35,60H,4-29,31-34,36-59H2,1-3H3/b35-30-
InChIKeyJHPHGOZIDCLCSH-GXVXDJONSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
TG(19:0/19:1(9Z)/22:0)[iso6] (CHEBI:187705) is a triglyceride (CHEBI:17855)
IUPAC Name 
[3-nonadecanoyloxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] docosanoate
Manual XrefsDatabases
LMGL03016681LIPID MAPS