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Ganglioside GD3 (d18:1(4E)/14:1(9Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM523122Image of MNXM523122
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC66H113N3O29
charge-2
mass1411.74707
referenceslm:000487064
InChIKeyNIKSEBJKJZANNR-WOQZZXGVSA-L
InChIInChI=1S/C66H115N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h12,14,27,29,40-47,49-62,70-73,76-79,81-86H,5-11,13,15-26,28,30-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/p-2/b14-12-,29-27+/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58+,59+,60-,61+,62-,65+,66-/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](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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Similar chemical compounds in external resources
IdentifierDescription
SLM:000487064
slm:000487064
Ganglioside GD3 (d18:1(4E)/14:1(9Z))
GD3(d18:1(4E)/14:1(9Z))
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