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CHEBI:172256 - TG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172256
ChEBI NameTG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,38,41,46,49,60H,4-14,16,19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1
InChIKeyOFMKIJCXOULKTR-ADJKMPCTSA-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(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:172256) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0052037HMDB
59660874ChemSpider