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CHEBI:190605 - Sorbitan monopalmitate

ChEBI IDCHEBI:190605
ChEBI NameSorbitan monopalmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42O6
Net Charge0
Average Mass402.572
Monoisotopic Mass402.29814
SMILES[H][C@]1([C@H](O)COC(=O)CCCCCCCCCCCCCCC)OC[C@H](O)[C@H]1O
InChIInChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1
InChIKeyIYFATESGLOUGBX-YVNJGZBMSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
Sorbitan monopalmitate (CHEBI:190605) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
Manual XrefsDatabases
17215573ChemSpider
Registry NumbersSources
CAS:26266-57-9ChemIDplus