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CHEBI:185463 - (2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

ChEBI IDCHEBI:185463
ChEBI Name(2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H112O5
Net Charge0
Average Mass925.562
Monoisotopic Mass924.85098
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-/t59-/m0/s1
InChIKeyFCSMYJQXGWBEFO-XNWOAGELSA-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)
(2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (CHEBI:185463) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-octadecanoyloxy-2-octadecoxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0045469HMDB
59654827ChemSpider