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CHEBI:189897 - Propylene glycol stearate

ChEBI IDCHEBI:189897
ChEBI NamePropylene glycol stearate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36O2.C3H8O2
Net Charge0
Average Mass360.579
Monoisotopic Mass360.32396
SMILESCC(O)CO.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h2-17H2,1H3,(H,19,20);3-5H,2H2,1H3
InChIKeyCMCJFUXWBBHIIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Propylene glycol stearate (CHEBI:189897) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
octadecanoic acid;propane-1,2-diol
Manual XrefsDatabases
191777ChemSpider