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Ganglioside GT2 (d18:1(4E)/14:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525396Image of MNXM525396
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC85H144N5O42
charge-3
mass1906.93023
referenceslm:000487815
InChIKeyYYGRUJCBOAKHIL-FXDKUQPJSA-K
InChIInChI=1S/C85H147N5O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-48(101)47(90-58(106)32-30-28-26-24-21-18-16-14-12-10-8-2)42-121-78-69(113)68(112)71(56(40-95)123-78)125-79-70(114)76(72(57(41-96)124-79)126-77-62(89-46(6)100)67(111)64(108)53(37-92)122-77)132-85(82(119)120)35-51(104)61(88-45(5)99)75(131-85)66(110)55(39-94)128-84(81(117)118)34-50(103)60(87-44(4)98)74(130-84)65(109)54(38-93)127-83(80(115)116)33-49(102)59(86-43(3)97)73(129-83)63(107)52(105)36-91/h29,31,47-57,59-79,91-96,101-105,107-114H,7-28,30,32-42H2,1-6H3,(H,86,97)(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/p-3/b31-29+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62+,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]3O[C@H](CO)[C@H](O)[C@H](O)[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](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)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000487815
slm:000487815
Ganglioside GT2 (d18:1(4E)/14:0)
GT2(d18:1(4E)/14:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(tetradecanoyl)-sphing-4-enine