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Ganglioside GD1b (d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM522781Image of MNXM522781
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC88H142N4O39
charge-2
mass1878.92622
referenceslm:000487294
InChIKeyMQNUSFMUEYCTKA-BBAMFARDSA-L
InChIInChI=1S/C88H144N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-120-82-73(114)71(112)75(60(46-97)123-82)125-84-74(115)80(76(61(47-98)124-84)126-81-65(91-51(5)101)77(68(109)58(44-95)121-81)127-83-72(113)70(111)67(108)57(43-94)122-83)131-88(86(118)119)41-55(104)64(90-50(4)100)79(130-88)69(110)59(45-96)128-87(85(116)117)40-54(103)63(89-49(3)99)78(129-87)66(107)56(105)42-93/h8,10,14,16,20-21,23-24,27,29,33,35-36,38,52-61,63-84,93-98,102-105,107-115H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,37,39-48H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/p-2/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-,38-36+/t52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68-,69+,70-,71+,72+,73+,74+,75+,76-,77+,78+,79+,80+,81-,82+,83-,84-,87+,88-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[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@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)[C@H](O)/C=C/CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000487294
slm:000487294
Ganglioside GD1b (d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
GD1b(d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
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-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sphing-4-enine