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Substance Name: 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1
RN: 116926-94-4
InChIKey: PCZAVKSTJLZSAQ-PVZBSJBISA-N

Note

  • Photoreactive derviative of G(M1) Ganglioside.

Molecular Formula

  • C73-H121-N8-O33-T

Molecular Weight

  • 1641.7979
 
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Names and Synonyms

Name of Substance

  • 12-((4-Azido-2-nitrophenyl)amino)dodecanoyl-GM1

Synonym

  • Anad-GM1

Systematic Name

  • Dodecanamide, N-(1-(((O-(N-(acetyl-t)-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-heptadeceyl)-12-((4-azido-2-nitrophenyl)amino)-, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 116926-94-4

System Generated Number

  • 0116926944

Structure Descriptors

InChI

1S/C73H122N8O33/c1-4-5-6-7-8-9-10-11-12-14-17-20-23-26-45(89)43(78-52(92)27-24-21-18-15-13-16-19-22-25-30-75-42-29-28-41(79-80-74)31-44(42)81(103)104)38-105-69-61(99)59(97)63(50(36-85)108-69)110-71-62(100)67(114-73(72(101)102)32-46(90)53(76-39(2)87)66(113-73)55(93)47(91)33-82)64(51(37-86)109-71)111-68-54(77-40(3)88)65(57(95)49(35-84)106-68)112-70-60(98)58(96)56(94)48(34-83)107-70/h23,26,28-29,31,43,45-51,53-71,75,82-86,89-91,93-100H,4-22,24-25,27,30,32-38H2,1-3H3,(H,76,87)(H,77,88)(H,78,92)(H,101,102)/b26-23+/i2T

InChIKey

PCZAVKSTJLZSAQ-PVZBSJBISA-N

Smiles

[3H]CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)CO)OC5C(OC(C(C5O)O)OCC(C(/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCNc6ccc(cc6[N+](=O)[O-])N=[N+]=[N-])CO)O)O