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CHEBI:172198 - TG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:172198
ChEBI NameTG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,34-35,40,43,60H,4-7,10,13-16,19,22-25,28-33,36-39,41-42,44-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,34-26-,35-27-,43-40-/t60-/m1/s1
InChIKeyWODCMPXYFFHLIO-SXCCRVFJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(18:3(9Z,12Z,15Z)/24:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:172198) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] tetracosanoate
Manual XrefsDatabases
HMDB0055191HMDB
59663734ChemSpider