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Ganglioside Ac-O-9-GT3 (d18:1(4E)/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102337Image of MNXM1102337
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC85H145N4O38
charge-3
mass1829.95533
referenceslm:000781587
InChIKeyAHTQYIRNGJRDEE-AGJHKNKQSA-K
InChIInChI=1S/C85H148N4O38/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-62(103)89-52(53(98)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)46-118-78-71(109)70(108)73(61(45-93)120-78)121-79-72(110)77(67(105)58(42-90)119-79)127-85(82(115)116)41-56(101)65(88-50(5)96)76(126-85)69(107)60(44-92)123-84(81(113)114)40-55(100)64(87-49(4)95)75(125-84)68(106)59(43-91)122-83(80(111)112)39-54(99)63(86-48(3)94)74(124-83)66(104)57(102)47-117-51(6)97/h35,37,52-61,63-79,90-93,98-102,104-110H,7-34,36,38-47H2,1-6H3,(H,86,94)(H,87,95)(H,88,96)(H,89,103)(H,111,112)(H,113,114)(H,115,116)/p-3/b37-35+/t52-,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-,83+,84+,85-/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](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000781587
slm:000781587
Ganglioside Ac-O-9-GT3 (d18:1(4E)/20:0)
Ac-O-9-GT3 (d18:1(4E)/20:0)
alpha-N-acetyl-9-O-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-eicosanoyl-sphing-4E-enine
lipidmaps:LMSP0601BK03
lipidmapsM:LMSP0601BK03
9-OAc-NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)