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Ganglioside GM2 (d18:1(4E)/36:4(21Z,24Z,27Z,30Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM523687Image of MNXM523687
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC85H148N3O26
charge-1
mass1627.03566
referenceslm:000487600
InChIKeyJNRBABDOJMWLHM-IXDRKXDISA-M
InChIInChI=1S/C85H149N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-68(98)88-61(62(95)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)58-107-82-75(103)74(102)77(66(56-91)109-82)111-83-76(104)80(78(67(57-92)110-83)112-81-70(87-60(4)94)73(101)72(100)65(55-90)108-81)114-85(84(105)106)53-63(96)69(86-59(3)93)79(113-85)71(99)64(97)54-89/h13,15,19-20,22-23,25-26,49,51,61-67,69-83,89-92,95-97,99-104H,5-12,14,16-18,21,24,27-48,50,52-58H2,1-4H3,(H,86,93)(H,87,94)(H,88,98)(H,105,106)/p-1/b15-13-,20-19-,23-22-,26-25-,51-49+/t61-,62+,63-,64+,65+,66+,67+,69+,70+,71+,72-,73+,74+,75+,76+,77+,78-,79+,80+,81-,82+,83-,85-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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]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:000487600
slm:000487600
Ganglioside GM2 (d18:1(4E)/36:4(21Z,24Z,27Z,30Z))
GM2(d18:1(4E)/36:4(21Z,24Z,27Z,30Z))
N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sphing-4-enine