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Substance Name: Ganglioside GM1
RN: 116950-37-9
UNII: 562413257Z
InChIKey: QPJBWNIQKHGLAU-IQZHVAEDSA-N

Molecular Formula

  • C73-H131-N3-O31

Molecular Weight

  • 1546.8279
 
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Names and Synonyms

Name of Substance

  • Ganglioside GM1

Synonyms

  • Ganglioside G1
  • Ganglioside GM1
  • Ganglioside GM1 [MI]
  • Ganglioside M1
  • GM1-ganglioside
  • Siagoside hydrate
  • Sialosylganglio-N-tetraosylceramide
  • UNII-562413257Z

Registry Numbers

CAS Registry Number

  • 116950-37-9

FDA UNII

  • 562413257Z

System Generated Number

  • 0116950379

Structure Descriptors

InChI

1S/C73H131N3O31/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)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/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

QPJBWNIQKHGLAU-IQZHVAEDSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O