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CHEBI:172221 - TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:172221
ChEBI NameTG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
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/h9,12,18,21,26-27,29,34-35,37,42-43,45-46,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1
InChIKeyFOMKVOCMJLEKCY-CGKHKIQUSA-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(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) (CHEBI:172221) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] docosanoate
Manual XrefsDatabases
59656085ChemSpider
HMDB0046863HMDB