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CHEBI:183394 - Sorbitan monostearate

ChEBI IDCHEBI:183394
ChEBI NameSorbitan monostearate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H46O6
Net Charge0
Average Mass430.626
Monoisotopic Mass430.32944
SMILES[H][C@]1([C@H](O)COC(=O)CCCCCCCCCCCCCCCCC)OC[C@H](O)[C@H]1O
InChIInChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21+,23+,24+/m0/s1
InChIKeyHVUMOYIDDBPOLL-XWVZOOPGSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
Sorbitan monostearate (CHEBI:183394) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
Manual XrefsDatabases
16736467ChemSpider
Registry NumbersSources
CAS:1338-41-6ChemIDplus