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CHEBI:172271 - TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:172271
ChEBI NameTG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
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)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1
InChIKeyUKBXDUZMIHROTA-QSYHSVTDSA-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(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) (CHEBI:172271) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-octadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
59654610ChemSpider
HMDB0045244HMDB