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Ganglioside GQ1b (d18:1(4E)/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102977Image of MNXM1102977
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC108H182N6O55
charge-4
mass2443.1651
referenceslm:000486815
InChIKeyRBAGTJDWPHHICE-SHUAISDYSA-J
InChIInChI=1S/C108H186N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-72(135)114-58(59(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)52-154-98-85(143)84(142)88(70(50-121)157-98)159-100-87(145)96(169-108(104(152)153)43-63(132)76(112-56(6)126)94(167-108)83(141)69(49-120)163-106(102(148)149)41-61(130)74(110-54(4)124)92(165-106)79(137)65(134)45-116)89(71(51-122)158-100)160-97-77(113-57(7)127)90(80(138)66(46-117)155-97)161-99-86(144)95(81(139)67(47-118)156-99)168-107(103(150)151)42-62(131)75(111-55(5)125)93(166-107)82(140)68(48-119)162-105(101(146)147)40-60(129)73(109-53(3)123)91(164-105)78(136)64(133)44-115/h36,38,58-71,73-100,115-122,128-134,136-145H,8-35,37,39-52H2,1-7H3,(H,109,123)(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/p-4/b38-36+/t58-,59+,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78+,79+,80-,81-,82+,83+,84+,85+,86+,87+,88+,89-,90+,91+,92+,93+,94+,95-,96+,97-,98+,99-,100-,105+,106+,107-,108-/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](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)CCCCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486815
slm:000486815
Ganglioside GQ1b (d18:1(4E)/20:0)
GQ1b(d18:1(4E)/20:0)
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->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(eicosanoyl)-sphing-4-enine
lipidmaps:LMSP0601AV03
lipidmapsM:LMSP0601AV03
GQ1b(d18:1/20:0)
Hex(3)-HexNAc-NeuAc(4)-Cer 38:1
NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0)
O2