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CHEBI:185404 - (2R)-2-Hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (13Z)-docos-13-enoate

ChEBI IDCHEBI:185404
ChEBI Name(2R)-2-Hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (13Z)-docos-13-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H82O5
Net Charge0
Average Mass703.146
Monoisotopic Mass702.61623
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,43,46H,3-11,13,15-16,21-42H2,1-2H3/b14-12-,19-17-,20-18-/t43-/m0/s1
InChIKeyWVHWORAOZMKSNP-MOUXKHRQSA-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)-2-Hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (13Z)-docos-13-enoate (CHEBI:185404) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
74854604ChemSpider
HMDB0056255HMDB