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CHEBI:172279 - TG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172279
ChEBI NameTG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-/t60-/m1/s1
InChIKeyVXQFNKDTBNYFRT-ZPLHHHHXSA-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(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:172279) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-icosanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
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