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CHEBI:184968 - (2S)-1-hydroxy-3-[(19-methylicosanoyl)oxy]propan-2-yl docosanoate

ChEBI IDCHEBI:184968
ChEBI Name(2S)-1-hydroxy-3-[(19-methylicosanoyl)oxy]propan-2-yl docosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H90O5
Net Charge0
Average Mass723.221
Monoisotopic Mass722.67883
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C46H90O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-31-34-37-40-46(49)51-44(41-47)42-50-45(48)39-36-33-30-27-24-21-19-16-17-20-23-26-29-32-35-38-43(2)3/h43-44,47H,4-42H2,1-3H3/t44-/m0/s1
InChIKeyFXELGLGUKNKVFN-SJARJILFSA-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)
(2S)-1-hydroxy-3-[(19-methylicosanoyl)oxy]propan-2-yl docosanoate (CHEBI:184968) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-(19-methylicosanoyloxy)propan-2-yl] docosanoate
Manual XrefsDatabases
HMDB0094387HMDB
74858670ChemSpider