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Ganglioside GQ1b (d18:1(4E)/14:1(9Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM524677Image of MNXM524677
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC102H168N6O55
charge-4
mass2357.05555
referenceslm:000486809
InChIKeyYYEXCQXWVSZSIZ-FVEZEJRCSA-J
InChIInChI=1S/C102H172N6O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-53(122)52(108-66(129)33-31-29-27-25-22-19-17-15-13-11-9-2)46-148-92-79(137)78(136)82(64(44-115)151-92)153-94-81(139)90(163-102(98(146)147)37-57(126)70(106-50(6)120)88(161-102)77(135)63(43-114)157-100(96(142)143)35-55(124)68(104-48(4)118)86(159-100)73(131)59(128)39-110)83(65(45-116)152-94)154-91-71(107-51(7)121)84(74(132)60(40-111)149-91)155-93-80(138)89(75(133)61(41-112)150-93)162-101(97(144)145)36-56(125)69(105-49(5)119)87(160-101)76(134)62(42-113)156-99(95(140)141)34-54(123)67(103-47(3)117)85(158-99)72(130)58(127)38-109/h15,17,30,32,52-65,67-94,109-116,122-128,130-139H,8-14,16,18-29,31,33-46H2,1-7H3,(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/p-4/b17-15-,32-30+/t52-,53+,54-,55-,56-,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+,89-,90+,91-,92+,93-,94-,99+,100+,101-,102-/m0/s1
SMILESCCCC/C=C\CCCCCCCC(=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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
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IdentifierDescription
SLM:000486809
slm:000486809
Ganglioside GQ1b (d18:1(4E)/14:1(9Z))
GQ1b(d18:1(4E)/14:1(9Z))
alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(9Z-tetradecenoyl)-sphing-4-enine