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CHEBI:172172 - TG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172172
ChEBI NameTG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-7,9-10,12-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1
InChIKeyJKAZMYUVQFQMCN-BLUYHVNPSA-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(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:172172) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] docosanoate
Manual XrefsDatabases
HMDB0046676HMDB
59655932ChemSpider