Chemical Component Summary

Nameraffinose
Identifiers(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tr is(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
FormulaC18 H32 O16
Molecular Weight504.437
TypeSACCHARIDE
Isomeric SMILESC([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O )O)O)O)O
InChIInChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18 /h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
InChIKeyMUPFEKGTMRGPLJ-ZQSKZDJDSA-N
CompositionPolymer Sequences: FRU-GLC-GLA
BIRD classNUTRIENT
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count14
Bond Count68
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB16839 
NameRaffinose
Groups investigational
Synonyms
  • Raffinose
  • Melitriose
  • Gossypose
  • Melitose
Categories
  • Carbohydrates
  • Oligosaccharides
  • Polysaccharides
  • Trisaccharides
CAS number512-69-6

Related Resource References

Resource NameReference
PubChem 439242
ChEMBL CHEMBL603717
ChEBI CHEBI:16634
CCDC/CSD RAFINO02, RAFINO01
COD 2020207