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CHEBI:184871 - (2R)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate

ChEBI IDCHEBI:184871
ChEBI Name(2R)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H112O5
Net Charge0
Average Mass889.529
Monoisotopic Mass888.85098
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C58H112O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1
InChIKeyQFCVEGHIBDOPPY-VXVUXWGWSA-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)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate (CHEBI:184871) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-3-octadecoxy-2-pentadecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0051441HMDB
59659365ChemSpider