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Ganglioside GD1a (d18:1(4E)/26:1(17Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM1102884Image of MNXM1102884
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC92H160N4O39
charge-2
mass1945.06707
referenceslm:000486265
InChIKeyWSELRPPDZDNVAB-AEQVDOIHSA-L
InChIInChI=1S/C92H162N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(111)96-56(57(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-124-86-75(117)74(116)78(64(50-101)127-86)129-88-77(119)84(135-92(90(122)123)45-59(108)68(94-54(4)104)82(133-92)71(113)61(110)47-98)79(65(51-102)128-88)130-85-69(95-55(5)105)80(72(114)62(48-99)125-85)131-87-76(118)83(73(115)63(49-100)126-87)134-91(89(120)121)44-58(107)67(93-53(3)103)81(132-91)70(112)60(109)46-97/h20-21,40,42,56-65,67-88,97-102,106-110,112-119H,6-19,22-39,41,43-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/p-2/b21-20-,42-40+/t56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83-,84+,85-,86+,87-,88-,91-,92-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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]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](O)CO)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)[C@H](O)/C=C/CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486265
slm:000486265
Ganglioside GD1a (d18:1(4E)/26:1(17Z))
GD1a(d18:1(4E)/26:1(17Z))
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-(17Z-hexacosenoyl)-sphing-4-enine
lipidmaps:LMSP0601AS08
lipidmapsM:LMSP0601AS08
GD1a(d18:1/26:1(17Z))
Hex(3)-HexNAc-NeuAc(2)-Cer 44:2
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))
O2