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Ganglioside GQ1b alpha (d18:1(4E)/22:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102253Image of MNXM1102253
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC110H186N6O55
charge-4
mass2471.1964
referenceslm:000485993
InChIKeyURRFPPQDIJFUSL-ALCRLQIUSA-J
InChIInChI=1S/C110H190N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-74(137)116-60(61(129)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)53-156-100-87(145)86(144)90(71(51-122)159-100)162-102-89(147)98(171-110(106(154)155)45-65(133)78(114-58(6)127)96(169-110)84(142)70(50-121)165-108(104(150)151)43-63(131)76(112-56(4)125)94(167-108)81(139)67(135)47-118)91(72(52-123)160-102)163-99-79(115-59(7)128)92(85(143)73(161-99)54-157-107(103(148)149)42-62(130)75(111-55(3)124)93(166-107)80(138)66(134)46-117)164-101-88(146)97(83(141)69(49-120)158-101)170-109(105(152)153)44-64(132)77(113-57(5)126)95(168-109)82(140)68(136)48-119/h38,40,60-73,75-102,117-123,129-136,138-147H,8-37,39,41-54H2,1-7H3,(H,111,124)(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/p-4/b40-38+/t60-,61+,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,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+,101-,102-,107+,108+,109-,110-/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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[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](O)CO)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)CCCCCCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000485993
slm:000485993
Ganglioside GQ1b alpha (d18:1(4E)/22:0)
GQ1b alpha(d18:1(4E)/22:0)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-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-(docosanoyl)-sphing-4-enine
lipidmaps:LMSP0601BJ04
lipidmapsM:LMSP0601BJ04
GQ1ba(d18:1/22:0)
Hex(3)-HexNAc-NeuAc(4)-Cer 40:1
NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-6)GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0)
O2