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CHEBI:172293 - TG(18:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172293
ChEBI NameTG(18:0/20:3(5Z,8Z,11Z)/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)CCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
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/h16,19,25-26,28-29,31,33,36,38-39,41,45,48,60H,4-15,17-18,20-24,27,30,32,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1
InChIKeyZHWSKYWMVCGRBA-DMLNBLJSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(18:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:172293) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-octadecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0045010HMDB
59654390ChemSpider