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CHEBI:185071 - (2R)-3-(Hexadecanoyloxy)-2-hydroxypropyl (13Z,16Z)-docosa-13,16-dienoate

ChEBI IDCHEBI:185071
ChEBI Name(2R)-3-(Hexadecanoyloxy)-2-hydroxypropyl (13Z,16Z)-docosa-13,16-dienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76O5
Net Charge0
Average Mass649.054
Monoisotopic Mass648.56928
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m1/s1
InChIKeyZBRJOYLFTOCUAC-XKKGNKCGSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2R)-3-(Hexadecanoyloxy)-2-hydroxypropyl (13Z,16Z)-docosa-13,16-dienoate (CHEBI:185071) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0056027HMDB
74854395ChemSpider