PRD_900066

6'-sialyl-lactose

PRD_900066 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5BNN.

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Chemical Component Summary

Name6'-sialyl-lactose
Identifiers(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxy methyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris( oxidanyl)propyl]oxane-2-carboxylic acid
FormulaC23 H39 N O19
Molecular Weight633.551
TypeSACCHARIDE
Isomeric SMILESCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O
InChIInChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,23+/m0/s1
InChIKeyTYALNJQZQRNQNQ-JLYOMPFMSA-N
CompositionPolymer Sequences: BGC-GAL-SIA
BIRD classNUTRIENT
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count16
Bond Count84
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 44611588
ChEMBL CHEMBL3764071
ChEBI CHEBI:85039, CHEBI:71943