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CHEBI:176146 - Stearyl monoglyceridyl citrate

Default Structure
ChEBI IDCHEBI:176146
ChEBI NameStearyl monoglyceridyl citrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36O2.C3H8O3.C7H10O7
Net Charge0
Average Mass582.728
Monoisotopic Mass582.36153
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)CC(O)(CC(=O)O)CC(=O)O.OCC(O)CO
InChIInChI=1S/C18H36O2.C7H10O7.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4(9)1-7(14,2-5(10)11)3-6(12)13;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);3-6H,1-2H2
InChIKeyHFJHNGKIVAKCIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Stearyl monoglyceridyl citrate (CHEBI:176146) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-(carboxymethyl)-3-hydroxypentanedioic acid;octadecanoic acid;propane-1,2,3-triol
Manual XrefsDatabases
55946ChemSpider
HMDB0032522HMDB
Registry NumbersSources
CAS:55840-13-6ChemIDplus