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CHEBI:178772 - TG(i-20:0/i-12:0/i-12:0)

ChEBI IDCHEBI:178772
ChEBI NameTG(i-20:0/i-12:0/i-12:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H90O6
Net Charge0
Average Mass751.231
Monoisotopic Mass750.67374
SMILESCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C47H90O6/c1-41(2)33-27-21-15-13-11-9-7-8-10-12-14-16-24-30-36-45(48)51-39-44(53-47(50)38-32-26-20-18-23-29-35-43(5)6)40-52-46(49)37-31-25-19-17-22-28-34-42(3)4/h41-44H,7-40H2,1-6H3/t44-/m0/s1
InChIKeyPEJDHYFHYARKNE-SJARJILFSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(i-20:0/i-12:0/i-12:0) (CHEBI:178772) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2,3-bis(10-methylundecanoyloxy)propyl] 18-methylnonadecanoate
Manual XrefsDatabases
HMDB0063456HMDB
59665030ChemSpider