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CHEBI:184902 - (2R)-2-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

ChEBI IDCHEBI:184902
ChEBI Name(2R)-2-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H112O5
Net Charge0
Average Mass949.584
Monoisotopic Mass948.85098
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,38,41,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-37,39-40,42-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-38-/t61-/m1/s1
InChIKeyGDUXUDRMHCHQQG-BALULRCSSA-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-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (CHEBI:184902) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-octadecoxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
59664238ChemSpider
HMDB0055839HMDB