PRD_900003

sucrose

Created: 2020-05-08
Last modified:  2020-07-29

PRD_900003 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3TAN.

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count9
Bond Count46
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

Namesucrose
Systematic Name (OpenEye OEToolkits)(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

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1(C(O)C(O)C(O)C(CO)O1)OC2(CO)C(O)C(O)C(CO)O2
SMILESCACTVS3.385OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C([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
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 CZMRCDWAGMRECN-UGDNZRGBSA-N

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
  • 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside
  • Sacharose
  • Sacarosa
  • Sucrose
  • Sucraloxum
Brand Names
  • Amerix Multivitamin
  • Childrens Emetrol Dye Free Grape
  • Childrens Emetrol Cherry
  • Emetrol Cherry
  • Select Brand Anti-Nausea
Categories
  • Carbohydrates
  • Compounds used in a research, industrial, or household setting
  • Diet, Food, and Nutrition
  • Dietary Carbohydrates
  • Dietary Sugars
CAS number57-50-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Taste receptor type 1 member 2MGPRAKTISSLFFLLWVLAEPAENSDFYLPGDYLLGGLFSLHANMKGIVH...unknown
Beta-lactamaseMFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...unknown
Lysozyme CMKALIVLGLVLLSVTVQGKVFERCELARTLKRLGMDGYRGISLANWMCLA...unknown
Actin, alpha skeletal muscleMCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...unknown
Beta-glucosidaseMVPAAQQTATAPDAALTFPEGFLWGSATASYQIEGAAAEDGRTPSIWDTY...unknown
View More
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