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Substance Name: Sialyl-Le(a) oligosaccharide
RN: 117978-16-2
InChIKey: GWBANRIMYAAKQB-UHFFFAOYSA-N

Note

  • Isolated from human milk.

Molecular Formula

  • C41-H70-N2-O32

Molecular Weight

  • 1102.99
 
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Names and Synonyms

Name of Substance

  • Sialyl-Le(a) oligosaccharide

Synonyms

  • Neuacalpha2-3Galbeta1-4-fucalpha1-glcnacbeta1-3Galbeta1-4Glc
  • Sialylated lacto-N-fucopentaose II

Systematic Name

  • D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-4)-O-(O-alpha-neuraminosyl-(2-3)-beta-D-galactopyranosyl-(1-3))-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-3)-

Registry Numbers

CAS Registry Number

  • 117978-16-2

System Generated Number

  • 0117978162

Structure Descriptors

InChI

1S/C41H70N2O32/c1-10-21(55)26(60)27(61)37(66-10)71-31-18(9-49)69-36(73-34-24(58)16(7-47)67-38(28(34)62)70-30(15(54)6-46)22(56)13(52)4-44)20(43-11(2)50)33(31)72-39-29(63)35(25(59)17(8-48)68-39)75-41(40(64)65)3-12(51)19(42)32(74-41)23(57)14(53)5-45/h4,10,12-39,45-49,51-63H,3,5-9,42H2,1-2H3,(H,43,50)(H,64,65)

InChIKey

GWBANRIMYAAKQB-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@@H]([C@@H](C=O)O)O)[C@@H](CO)O)O[C@@H](CO)[C@@H]2O)O)[C@@H]([C@@H]1O[C@@H]1[C@@H]([C@@H]([C@@H](O)[C@@H](CO)O1)O[C@@]1(C(O)=O)C[C@@H](O)[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O1)N)O)NC(C)=O)O)O)O)C