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Ganglioside GT1a (d18:1(4E)/3:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525134Image of MNXM525134
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC80H132N5O47
charge-3
mass1914.81091
referenceslm:000486741
InChIKeyXCFQEOYQUFZYSU-RKFCYDKFSA-K
InChIInChI=1S/C80H135N5O47/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-38(97)37(85-49(103)8-2)32-119-72-60(110)59(109)63(47(30-91)122-72)124-74-62(112)70(132-80(77(117)118)24-40(99)51(82-34(4)94)67(129-80)55(105)43(102)26-87)64(48(31-92)123-74)125-71-53(84-36(6)96)65(56(106)44(27-88)120-71)126-73-61(111)69(57(107)45(28-89)121-73)131-79(76(115)116)23-41(100)52(83-35(5)95)68(130-79)58(108)46(29-90)127-78(75(113)114)22-39(98)50(81-33(3)93)66(128-78)54(104)42(101)25-86/h20-21,37-48,50-74,86-92,97-102,104-112H,7-19,22-32H2,1-6H3,(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,103)(H,113,114)(H,115,116)(H,117,118)/p-3/b21-20+/t37-,38+,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,50+,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66+,67+,68+,69-,70+,71-,72+,73-,74-,78+,79-,80-/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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CC
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IdentifierDescription
SLM:000486741
slm:000486741
Ganglioside GT1a (d18:1(4E)/3:0)
GT1a(d18:1(4E)/3:0)
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->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(propionyl)-sphing-4-enine