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Ganglioside Ac-O-9-GD1a (d18:1(4E)/18:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102384Image of MNXM1102384
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC86H148N4O40
charge-2
mass1876.96808
referenceslm:000762121
InChIKeyRUDZDZBDKSGGFL-WKUATGEBSA-L
InChIInChI=1S/C86H150N4O40/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-60(105)90-50(51(100)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-119-80-69(111)68(110)72(58(42-94)122-80)124-82-71(113)78(130-86(84(116)117)38-53(102)61(87-46(3)96)75(127-86)64(106)54(103)39-91)73(59(43-95)123-82)125-79-63(89-48(5)98)74(66(108)56(40-92)120-79)126-81-70(112)77(67(109)57(41-93)121-81)129-85(83(114)115)37-52(101)62(88-47(4)97)76(128-85)65(107)55(104)45-118-49(6)99/h33,35,50-59,61-82,91-95,100-104,106-113H,7-32,34,36-45H2,1-6H3,(H,87,96)(H,88,97)(H,89,98)(H,90,105)(H,114,115)(H,116,117)/p-2/b35-33+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)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)NC(=O)CCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000762121
slm:000762121
Ganglioside Ac-O-9-GD1a (d18:1(4E)/18:0)
Ac-O-9-GD1a (d18:1(4E)/18:0)
alpha-N-acetyl-9-O-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-octadecanoyl-sphing-4E-enine
lipidmaps:LMSP0601CK02
lipidmapsM:LMSP0601CK02
9-OAc-NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0)