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Ganglioside GM2 (d18:1(4E)/4:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM523695Image of MNXM523695
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC53H92N3O26
charge-1
mass1186.59745
referenceslm:000487629
InChIKeyJQISKPXMARFVAN-AYQNPXHESA-M
InChIInChI=1S/C53H93N3O26/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-30(63)29(56-36(66)19-6-2)26-75-50-43(71)42(70)45(34(24-59)77-50)79-51-44(72)48(46(35(25-60)78-51)80-49-38(55-28(4)62)41(69)40(68)33(23-58)76-49)82-53(52(73)74)21-31(64)37(54-27(3)61)47(81-53)39(67)32(65)22-57/h18,20,29-35,37-51,57-60,63-65,67-72H,5-17,19,21-26H2,1-4H3,(H,54,61)(H,55,62)(H,56,66)(H,73,74)/p-1/b20-18+/t29-,30+,31-,32+,33+,34+,35+,37+,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48+,49-,50+,51-,53-/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]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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IdentifierDescription
SLM:000487629
slm:000487629
Ganglioside GM2 (d18:1(4E)/4:0)
GM2(d18:1(4E)/4:0)
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