Chemical Component Summary

Name3'-sialyl-alpha-lactose
Identifiers(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R}, 6~{S})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H] ([C@@H]([C@H]3O)O)O)CO)CO)O)O
InChIInChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-1 0(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+ ,18+,19-,20-,21-,23-/m0/s1
InChIKeyCILYIEBUXJIHCO-LPTWSRJFSA-N
CompositionPolymer Sequences: GLC-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

Drug Info: DrugBank

DrugBank IDDB03296 
Name3'-beta-Sialyl-beta-lactose
Groups experimental
Synonyms
  • 3'-beta-Sialyl-beta-lactose
  • O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose
CAS number64839-32-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Trans-sialidaseMLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAI...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 448469