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CHEBI:172173 - TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172173
ChEBI NameTG(22:1(13Z)/18:1(9Z)/20:5(5Z,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\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
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/h8,11,17,20,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1
InChIKeyFFDMAFKNMIQJTB-XULQZTQMSA-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(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:172173) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0051591HMDB
59659498ChemSpider