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CHEBI:186500 - TG(24:1(15Z)/22:2(13Z,16Z)/o-18:0)

ChEBI IDCHEBI:186500
ChEBI NameTG(24:1(15Z)/22:2(13Z,16Z)/o-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H126O5
Net Charge0
Average Mass1011.740
Monoisotopic Mass1010.96053
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C67H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,65H,4-16,18-19,21-24,27,30-64H2,1-3H3/b20-17-,28-25-,29-26-/t65-/m1/s1
InChIKeyMUZOUXWVQKQOLA-VMNTVSPWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
TG(24:1(15Z)/22:2(13Z,16Z)/o-18:0) (CHEBI:186500) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-octadecoxypropyl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
59661075ChemSpider
HMDB0052252HMDB