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

PropertiesImageOccurences in reactions
MNX_IDMNXM525135Image of MNXM525135
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC81H134N5O47
charge-3
mass1928.82656
referenceslm:000486726
InChIKeyUXLUREGXCRKPHM-RXNJRRKWSA-K
InChIInChI=1S/C81H137N5O47/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-39(98)38(86-50(104)21-8-2)33-120-73-61(111)60(110)64(48(31-92)123-73)125-75-63(113)71(133-81(78(118)119)25-41(100)52(83-35(4)95)68(130-81)56(106)44(103)27-88)65(49(32-93)124-75)126-72-54(85-37(6)97)66(57(107)45(28-89)121-72)127-74-62(112)70(58(108)46(29-90)122-74)132-80(77(116)117)24-42(101)53(84-36(5)96)69(131-80)59(109)47(30-91)128-79(76(114)115)23-40(99)51(82-34(3)94)67(129-79)55(105)43(102)26-87/h20,22,38-49,51-75,87-93,98-103,105-113H,7-19,21,23-33H2,1-6H3,(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,104)(H,114,115)(H,116,117)(H,118,119)/p-3/b22-20+/t38-,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,51+,52+,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70-,71+,72-,73+,74-,75-,79+,80-,81-/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)CCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486726
slm:000486726
Ganglioside GT1a (d18:1(4E)/4:0)
GT1a(d18:1(4E)/4:0)
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-(butanoyl)-sphing-4-enine