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Ganglioside GD1a (d18:1(4E)/38:5(23Z,26Z,29Z,32Z,35Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM522652Image of MNXM522652
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC104H176N4O39
charge-2
mass2105.19227
referenceslm:000486273
InChIKeyCXIMWZCYIVIVIQ-HJUKGTPYSA-L
InChIInChI=1S/C104H178N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-78(123)108-68(69(118)54-52-50-48-46-44-42-19-17-15-13-11-9-7-2)64-136-98-87(129)86(128)90(76(62-113)139-98)141-100-89(131)96(147-104(102(134)135)57-71(120)80(106-66(4)116)94(145-104)83(125)73(122)59-110)91(77(63-114)140-100)142-97-81(107-67(5)117)92(84(126)74(60-111)137-97)143-99-88(130)95(85(127)75(61-112)138-99)146-103(101(132)133)56-70(119)79(105-65(3)115)93(144-103)82(124)72(121)58-109/h8,10,14,16,20-21,23-24,26-27,52,54,68-77,79-100,109-114,118-122,124-131H,6-7,9,11-13,15,17-19,22,25,28-51,53,55-64H2,1-5H3,(H,105,115)(H,106,116)(H,107,117)(H,108,123)(H,132,133)(H,134,135)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,54-52+/t68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,79+,80+,81+,82+,83+,84-,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95-,96+,97-,98+,99-,100-,103-,104-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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@]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](O)CO)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:000486273
slm:000486273
Ganglioside GD1a (d18:1(4E)/38:5(23Z,26Z,29Z,32Z,35Z))
GD1a(d18:1(4E)/38:5(23Z,26Z,29Z,32Z,35Z))
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-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sphing-4-enine