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CHEBI:185025 - (2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

ChEBI IDCHEBI:185025
ChEBI Name(2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H102O5
Net Charge0
Average Mass855.427
Monoisotopic Mass854.77273
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H102O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,32,54H,4-6,8-9,11-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b10-7-,19-16-,27-25-,32-30-/t54-/m1/s1
InChIKeyNLQTWATZBYOJSQ-JGONCANASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (CHEBI:185025) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-1-octadecoxy-3-pentadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual XrefsDatabases
59653211ChemSpider
HMDB0043713HMDB