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Substance Name: Siagoside [INN]
RN: 100345-64-0
UNII: 6QFJ0908R2
InChIKey: WVHBJHLTCHODOA-MYYVOHNDSA-N

Note

  • Internal ester of GM1.

Molecular Formula

  • C73-H129-N3-O30

Molecular Weight

  • 1528.8131
 
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Names and Synonyms

Name of Substance

  • Ganglioside agf2
  • Siagoside [INN]

Synonyms

  • Siagoside
  • Siagosido
  • Siagosido [INN-Spanish]
  • Siagosidum
  • Siagosidum [INN-Latin]
  • UNII-6QFJ0908R2

Systematic Names

  • Ganglioside GM1, intramol. 1(B1),2(B)-ester
  • N-(ll(sup 3)-N-Acetylneuraminosylgangliotetraosyl)ceramide, intramolecular ester
  • Octadecanamide, N-((1S,3R,3E)-1-(((O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, intramol, 1''',2''-ester

Registry Numbers

CAS Registry Number

  • 100345-64-0

FDA UNII

  • 6QFJ0908R2

System Generated Number

  • 0100345640

Structure Descriptors

InChI

1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1

InChIKey

WVHBJHLTCHODOA-MYYVOHNDSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(=O)C)[C@@H]5O[C@@]6(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O6)[C@H](O)[C@H](O)CO)C(=O)O[C@@H]25)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC