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Ganglioside GD2 (d18:1(4E)/30:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM522969Image of MNXM522969
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC90H160N4O34
charge-2
mass1841.0925
referenceslm:000487731
InChIKeyDTQIAANYSBPCSX-DULSJCLNSA-L
InChIInChI=1S/C90H162N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-68(107)94-59(60(103)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)55-119-85-77(113)76(112)79(66(53-98)121-85)123-86-78(114)83(80(67(54-99)122-86)124-84-71(93-58(5)102)75(111)73(109)64(51-96)120-84)128-90(88(117)118)49-62(105)70(92-57(4)101)82(127-90)74(110)65(52-97)125-89(87(115)116)48-61(104)69(91-56(3)100)81(126-89)72(108)63(106)50-95/h44,46,59-67,69-86,95-99,103-106,108-114H,6-43,45,47-55H2,1-5H3,(H,91,100)(H,92,101)(H,93,102)(H,94,107)(H,115,116)(H,117,118)/p-2/b46-44+/t59-,60+,61-,62-,63+,64+,65+,66+,67+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85+,86-,89+,90-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[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]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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IdentifierDescription
SLM:000487731
slm:000487731
Ganglioside GD2 (d18:1(4E)/30:0)
GD2(d18:1(4E)/30:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-galactosyl-(1->4)-beta-glucosyl-(1<->1')-N-(triacontanoyl)-sphing-4-enine