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Globoside NeuAc(alpha2-6)-MSGG (d18:1(4E)/22:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102593Image of MNXM1102593
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC94H164N4O44
charge-2
mass2053.07294
referenceslm:000749608
InChIKeyCYILBUWRKHGWQJ-YFPXWKESSA-L
InChIInChI=1S/C94H166N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(113)98-53(54(108)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-129-87-75(121)73(119)79(61(46-103)133-87)136-88-76(122)74(120)80(62(47-104)134-88)137-89-77(123)84(71(117)60(45-102)132-89)139-86-67(97-52(5)107)81(70(116)59(44-101)131-86)138-90-78(124)85(142-94(92(127)128)41-56(110)66(96-51(4)106)83(141-94)69(115)58(112)43-100)72(118)63(135-90)49-130-93(91(125)126)40-55(109)65(95-50(3)105)82(140-93)68(114)57(111)42-99/h36,38,53-63,65-90,99-104,108-112,114-124H,6-35,37,39-49H2,1-5H3,(H,95,105)(H,96,106)(H,97,107)(H,98,113)(H,125,126)(H,127,128)/p-2/b38-36+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85-,86-,87+,88-,89+,90-,93+,94-/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@@H]5O[C@H](CO[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](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)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000749608
slm:000749608
Globoside NeuAc(alpha2-6)-MSGG (d18:1(4E)/22:0)
N-acetyl-alpha-neuraminosyl-(2->6)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(docosanoyl)-sphing-4E-enine
NeuAc(alpha2-6)-MSGG(d18:1(4E)/22:0)