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CHEBI:184634 - (2S)-3-[(9Z)-Hexadec-9-enoyloxy]-2-(octadecyloxy)propyl octadecanoate

ChEBI IDCHEBI:184634
ChEBI Name(2S)-3-[(9Z)-Hexadec-9-enoyloxy]-2-(octadecyloxy)propyl octadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H106O5
Net Charge0
Average Mass847.448
Monoisotopic Mass846.80403
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H106O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-53(51-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24,53H,4-20,22-23,25-52H2,1-3H3/b24-21-/t53-/m1/s1
InChIKeyKASIYQVJDRJTHU-JDMPLWDLSA-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-[(9Z)-Hexadec-9-enoyloxy]-2-(octadecyloxy)propyl octadecanoate (CHEBI:184634) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecoxypropyl] octadecanoate
Manual XrefsDatabases
59654814ChemSpider
HMDB0045456HMDB