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Substance Name: N-Parinaroylganglioside G(M1)
RN: 120418-73-7
InChIKey: DQOZMNQCTJNGNS-SKUYKWLDSA-N

Molecular Formula

  • C73-H123-N3-O31

Molecular Weight

  • 1538.76
 
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Names and Synonyms

Name of Substance

  • N-Parinaroylganglioside G(M1)

Synonym

  • Npg-GM1

Systematic Name

  • 9,11,13,15-Octadecatetraenamide, N-(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)-, (R-(R*,S*-(E,Z,Z,E,E)))-

Registry Numbers

CAS Registry Number

  • 120418-73-7

System Generated Number

  • 0120418737

Structure Descriptors

InChI

1S/C73H123N3O31/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/h7,9,11,13,15,17,19-20,31,33,44-51,53-71,77-81,84-86,88-95H,5-6,8,10,12,14,16,18,21-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b9-7+,13-11+,17-15+,20-19+,33-31+

InChIKey

DQOZMNQCTJNGNS-SKUYKWLDSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](C[C@@]1(O[C@@H]1[C@@H]([C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OC[C@@H](NC(=O)CCCCCCC\C=C\C=C\C=C\C=C\CC)[C@@H](\C=C\CCCCCCCCCCCCC)O)O[C@@H]2CO)O[C@@H](CO)[C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1NC(C)=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)CO)O)C(=O)O)O)NC(C)=O)[C@@H]([C@@H](CO)O)O