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Ganglioside GT2 (d18:1(4E)/iso15:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525475Image of MNXM525475
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC86H146N5O42
charge-3
mass1920.94588
referenceslm:000487747
InChIKeyQHRRKYKDOVWKRA-ROUUBAEASA-K
InChIInChI=1S/C86H149N5O42/c1-8-9-10-11-12-13-14-15-16-19-22-25-28-31-49(102)48(91-59(107)32-29-26-23-20-17-18-21-24-27-30-43(2)3)42-122-79-70(114)69(113)72(57(40-96)124-79)126-80-71(115)77(73(58(41-97)125-80)127-78-63(90-47(7)101)68(112)65(109)54(37-93)123-78)133-86(83(120)121)35-52(105)62(89-46(6)100)76(132-86)67(111)56(39-95)129-85(82(118)119)34-51(104)61(88-45(5)99)75(131-85)66(110)55(38-94)128-84(81(116)117)33-50(103)60(87-44(4)98)74(130-84)64(108)53(106)36-92/h28,31,43,48-58,60-80,92-97,102-106,108-115H,8-27,29-30,32-42H2,1-7H3,(H,87,98)(H,88,99)(H,89,100)(H,90,101)(H,91,107)(H,116,117)(H,118,119)(H,120,121)/p-3/b31-28+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78-,79+,80-,84+,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]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)CCCCCCCCCCCC(C)C
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IdentifierDescription
SLM:000487747
slm:000487747
Ganglioside GT2 (d18:1(4E)/iso15:0)
GT2(d18:1(4E)/iso15:0)
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-(13-methyltetradecanoyl)-sphing-4-enine