PRD_900029

1-kestose

PRD_900029 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5ZL4.

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Chemical Component Summary

Name1-kestose
Identifiers(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{S},4~{S},5~{R})-2-[[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-b is(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-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)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O) O
InChIInChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-1 7/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
InChIKeyVAWYEUIPHLMNNF-OESPXIITSA-N
CompositionPolymer Sequences: GLC-FRU-FRU
BIRD classNUTRIENT
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count13
Bond Count68
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 440080
ChEBI CHEBI:16885