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CHEBI:172187 - TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))

ChEBI IDCHEBI:172187
ChEBI NameTG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,32,34,39,42,48,51,60H,4-16,18-19,22-23,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1
InChIKeyGAMAPPJKXZHGQR-OCQLGYFVSA-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(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) (CHEBI:172187) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0048902HMDB
59657994ChemSpider