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Ganglioside GT1a (d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM525117Image of MNXM525117
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC107H176N5O47
charge-3
mass2283.15521
referenceslm:000486683
InChIKeyIBTQUWWLYUSFNF-BQXXDFMVSA-K
InChIInChI=1S/C107H179N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-76(130)112-64(65(124)47-45-43-41-39-37-35-20-18-16-14-12-10-8-2)59-146-99-87(137)86(136)90(74(57-118)149-99)151-101-89(139)97(159-107(104(144)145)51-67(126)78(109-61(4)121)94(156-107)82(132)70(129)53-114)91(75(58-119)150-101)152-98-80(111-63(6)123)92(83(133)71(54-115)147-98)153-100-88(138)96(84(134)72(55-116)148-100)158-106(103(142)143)50-68(127)79(110-62(5)122)95(157-106)85(135)73(56-117)154-105(102(140)141)49-66(125)77(108-60(3)120)93(155-105)81(131)69(128)52-113/h9,11,15,17,21-22,24-25,27-28,45,47,64-75,77-101,113-119,124-129,131-139H,7-8,10,12-14,16,18-20,23,26,29-44,46,48-59H2,1-6H3,(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,130)(H,140,141)(H,142,143)(H,144,145)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,47-45+/t64-,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,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-,105+,106-,107-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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](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)[C@H](O)/C=C/CCCCCCCCCCCCC
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IdentifierDescription
SLM:000486683
slm:000486683
Ganglioside GT1a (d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))
GT1a(d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))
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-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sphing-4-enine