PRD_900071

Heparan sulfate disaccharide

PRD_900071 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5OCA.

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Chemical Component Summary

NameHeparan sulfate disaccharide
Identifiers[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate
FormulaC12 H22 O26 S5
Molecular Weight742.612
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)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS( =O)(=O)O)OS(=O)(=O)O)O
InChIInChI=1S/C12H22O26S5/c13-1-3-6(34-39(16,17)18)8(36-41(22,23)24)10(38-43(28,29)30)12(33-3)31-2-4-5(14)7(35-40(19,20)21)9 (11(15)32-4)37-42(25,26)27/h3-15H,1-2H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t3-,4+,5+,6-,7-,8-, 9+,10+,11-,12-/m1/s1
InChIKeySNMGREPYXWHBJB-FDEZJODUSA-N
CompositionPolymer Sequences: TWD-TWA
BIRD classPROTEIN BINDING
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count10
Bond Count66
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 129900327