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CHEBI:180881 - TG(14:0/o-18:0/22:1(13Z))

ChEBI IDCHEBI:180881
ChEBI NameTG(14:0/o-18:0/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H110O5
Net Charge0
Average Mass875.502
Monoisotopic Mass874.83533
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h24,26,55H,4-23,25,27-54H2,1-3H3/b26-24-/t55-/m0/s1
InChIKeyAIBSNIRRVBNNBP-OONHBSBMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
TG(14:0/o-18:0/22:1(13Z)) (CHEBI:180881) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0042944HMDB
59652479ChemSpider