Chemical Component Summary

Namesucrose
Identifiers(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6- (hydroxymethyl)oxane-3,4,5-triol
FormulaC12 H22 O11
Molecular Weight342.296
TypeSACCHARIDE
Isomeric SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
InChIInChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+ ,9-,10+,11-,12+/m1/s1
InChIKeyCZMRCDWAGMRECN-UGDNZRGBSA-N
CompositionPolymer Sequences: GLC-FRU
BIRD classNUTRIENT
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count9
Bond Count46
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02772 
NameSucrose
Groups
  • approved
  • experimental
  • investigational
DescriptionA nonreducing disaccharide composed of glucose and fructose linked via their anomeric carbons. It is obtained commercially from sugarcane, sugar beet (beta vulgaris), and other plants and used extensively as a food and a sweetener.
Synonyms
  • Cane sugar
  • Sucrose
  • Saccharose
  • Table sugar
  • Sucraloxum
Brand Names
  • Childrens Emetrol Cherry
  • Emetrol Cherry
  • Select Brand Anti-Nausea
  • Childrens Emetrol Dye Free Grape
  • Amerix Multivitamin
Categories
  • Carbohydrates
  • Compounds used in a research, industrial, or household setting
  • Diet, Food, and Nutrition
  • Dietary Carbohydrates
  • Dietary Sugars
CAS number57-50-1
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5988
ChEMBL CHEMBL253582
ChEBI CHEBI:65313, CHEBI:17992
CCDC/CSD SUCROS14, SUCROS43, MELKIA, DINYOO10, SUCROS17, SUCROS41, ZZZNBS02, SUCROS01, SUCROS48, SUCROS03, SUCROS11, SUCROS45, SUCROS47, SUCROS08, SUCROS04, SUCROS13, SUCROS46, SUCROS12, NEHCAE, SUCROS49, SUCROS42, SUCROS23, SUCROS38, SUCROS21, SUCROS37, SUCROS29, SUCROS32, SUCROS30, SUCROS36, SUCROS20, SUCROS40, SUCROS31, SUCROS35, SUCROS26, SUCROS27, SUCROS24, SUCROS25, SUCROS33, SUCROS39, SUCROS28, SUCROS22, SUCROS34, SUCROS15, SUCROS19, SUCROS55
COD 3500015, 2300557, 2300264