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ganglioside X2

PropertiesImageOccurences in reactions
MNX_IDMNXM1102858Image of MNXM1102858
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC95H167N5O46
charge0
mass2114.08822
referencechebi:79100
InChIKeyZKJVOCWUVOZHGQ-DQNFQXDFSA-N
InChIInChI=1S/C95H167N5O46/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(116)100-51(52(113)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-131-90-76(126)74(124)79(59(43-106)136-90)139-92-77(127)85(80(60(44-107)137-92)140-88-65(98-49(5)111)82(70(120)57(41-104)133-88)142-91-75(125)73(123)69(119)56(40-103)135-91)144-89-66(99-50(6)112)83(71(121)58(42-105)134-89)143-93-78(128)86(81(61(45-108)138-93)141-87-64(97-48(4)110)72(122)68(118)55(39-102)132-87)146-95(94(129)130)37-53(114)63(96-47(3)109)84(145-95)67(117)54(115)38-101/h33,35,51-61,63-93,101-108,113-115,117-128H,7-32,34,36-46H2,1-6H3,(H,96,109)(H,97,110)(H,98,111)(H,99,112)(H,100,116)(H,129,130)/b35-33+/t51-,52+,53-,54+,55+,56+,57+,58+,59+,60+,61+,63+,64+,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+,91-,92-,93-,95-/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]4O)[C@H]3NC(C)=O)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:79100
chebi:79100
ganglioside X2
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
X2 ganglioside
beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-octadecanoylsphingosine
beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-stearoylsphingosine
monosialoganglioside X2
lipidmaps:LMSP0601DR02
lipidmapsM:LMSP0601DR02
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/18:0)
Hex(4)-HexNAc(3)-NeuAc-Cer 36:1
O2