EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185411 - (2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate

ChEBI IDCHEBI:185411
ChEBI Name(2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H124O5
Net Charge0
Average Mass961.680
Monoisotopic Mass960.94488
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H124O5/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/h61H,4-60H2,1-3H3/t61-/m1/s1
InChIKeyLSBBVVQMAXPGLR-QRXDBQBNSA-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)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate (CHEBI:185411) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-icosanoyloxy-3-octadecoxypropyl] docosanoate
Manual XrefsDatabases
HMDB0046380HMDB
59655672ChemSpider