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CHEBI:172167 - TG(20:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172167
ChEBI NameTG(20:0/18:3(6Z,9Z,12Z)/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
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/h16,18-19,21,25,27-28,31,33-34,38,41-42,45,60H,4-15,17,20,22-24,26,29-30,32,35-37,39-40,43-44,46-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,45-42-/t60-/m0/s1
InChIKeyDPVXGIJTUCROGT-MMNGLDDISA-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(20:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:172167) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-icosanoyloxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0045910HMDB
59655231ChemSpider