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CHEBI:186221 - Sucrose monostearate

ChEBI IDCHEBI:186221
ChEBI NameSucrose monostearate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O11.C18H36O2
Net Charge0
Average Mass626.781
Monoisotopic Mass626.38774
SMILESCCCCCCCCCCCCCCCCCC(=O)O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2
InChIKeyONAIRGOTKJCYEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sucrose monostearate (CHEBI:186221) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;octadecanoic acid
Manual XrefsDatabases
268428ChemSpider
HMDB0039580HMDB