GD2 (Q4864602)

GD2 Ganglioside (English)

retrieved

21 September 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(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)NC(=O)C)O[C@@]4(C[C@H]([C@@H]([C@H](O4)C(C(CO[C@@]5(C[C@H]([C@@H]([C@H](O5)C(C(CO)O)O)N)O)C(=O)O)O)O)N)O)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

GD2 Ganglioside (English)

21 September 2016

1 reference

Identifiers

InChI

InChI=1S/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,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+,73-,74+/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

FFILOTSTFMXQJC-QCFYAKGBSA-N

1 reference

imported from Wikimedia project

GD2 Ganglioside (English)

retrieved

21 September 2016

CAS Registry Number

65988-71-8

1 reference

1 reference

(4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-dideoxy-6-[(1S)-1,2,3-trihydroxypropyl]-alpha-D-threo-he (English)

21 September 2016

1 reference