PRD_900045

octanoyl-sucrose, esterificated at fructose C6

PRD_900045 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1PYY.

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Chemical Component Summary

Nameoctanoyl-sucrose, esterificated at fructose C6
Identifiers[(2~{R},3~{S},4~{S},5~{S})-5-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)o xan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate
FormulaC20 H36 O12
Molecular Weight468.493
TypeSACCHARIDE
Isomeric SMILESCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChIInChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12 ,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1
InChIKeyAWSYOWHJNGZJGU-OASARBKBSA-N
CompositionPolymer Sequences: GLC-TRV
BIRD classSUBSTRATE ANALOG
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count9
Bond Count69
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03190 
Name6-o-Capryloylsucrose
Groups experimental
Synonyms
  • 6-o-Capryloylsucrose
  • alpha-D-Glucopyranoside, 6-O-(1-oxooctyl)-beta-D-fructofuranosyl
CAS number136152-82-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Penicillin-binding protein 2XMKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGT...unknown
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 447970