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Ganglioside GT1a (d18:1(4E)/iso13:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525138Image of MNXM525138
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC90H152N5O47
charge-3
mass2054.96741
referenceslm:000486666
InChIKeyKXCABMAVKPUDJU-MUFBTPEDSA-K
InChIInChI=1S/C90H155N5O47/c1-8-9-10-11-12-13-14-15-16-17-20-23-26-29-48(107)47(95-59(113)30-27-24-21-18-19-22-25-28-42(2)3)41-129-82-70(120)69(119)73(57(39-101)132-82)134-84-72(122)80(142-90(87(127)128)33-50(109)61(92-44(5)104)77(139-90)65(115)53(112)35-97)74(58(40-102)133-84)135-81-63(94-46(7)106)75(66(116)54(36-98)130-81)136-83-71(121)79(67(117)55(37-99)131-83)141-89(86(125)126)32-51(110)62(93-45(6)105)78(140-89)68(118)56(38-100)137-88(85(123)124)31-49(108)60(91-43(4)103)76(138-88)64(114)52(111)34-96/h26,29,42,47-58,60-84,96-102,107-112,114-122H,8-25,27-28,30-41H2,1-7H3,(H,91,103)(H,92,104)(H,93,105)(H,94,106)(H,95,113)(H,123,124)(H,125,126)(H,127,128)/p-3/b29-26+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,60+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82+,83-,84-,88+,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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC(C)C
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486666
slm:000486666
Ganglioside GT1a (d18:1(4E)/iso13:0)
GT1a(d18:1(4E)/iso13:0)
alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(11-methyldodecanoyl)-sphing-4-enine