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CHEBI:185519 - TG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185519
ChEBI NameTG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H94O6
Net Charge0
Average Mass875.373
Monoisotopic Mass874.70504
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-30,33,38,41,54H,4-6,9,12-15,18,21-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1
InChIKeyVHYXASXNJSWFIX-ZGVYKUPWSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185519) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
59663713ChemSpider
HMDB0055165HMDB