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CHEBI:186638 - TG(18:3(9Z,12Z,15Z)/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]

ChEBI IDCHEBI:186638
ChEBI NameTG(18:3(9Z,12Z,15Z)/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H100O6
Net Charge0
Average Mass917.454
Monoisotopic Mass916.75199
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)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,31,33,35,41,44,57H,4-6,8,11,13-15,17,20,22-24,26,29-30,32,34,36-40,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,35-33-,44-41-/t57-/m1/s1
InChIKeyAJPDIAJSWFZPRT-IKVWPSIDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
TG(18:3(9Z,12Z,15Z)/19:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] (CHEBI:186638) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-nonadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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