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Ganglioside GM3 (d18:1(4E)/8:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM523903Image of MNXM523903
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC49H87N2O21
charge-1
mass1039.58068
referenceslm:000486654
InChIKeyBSVPEGRVUNFTNA-WQCZGZRDSA-M
InChIInChI=1S/C49H88N2O21/c1-4-6-8-10-11-12-13-14-15-16-17-19-20-22-31(56)30(51-36(59)23-21-18-9-7-5-2)28-67-46-41(63)40(62)43(35(27-54)69-46)70-47-42(64)45(39(61)34(26-53)68-47)72-49(48(65)66)24-32(57)37(50-29(3)55)44(71-49)38(60)33(58)25-52/h20,22,30-35,37-47,52-54,56-58,60-64H,4-19,21,23-28H2,1-3H3,(H,50,55)(H,51,59)(H,65,66)/p-1/b22-20+/t30-,31+,32-,33+,34+,35+,37+,38+,39-,40+,41+,42+,43+,44+,45-,46+,47-,49-/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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486654
slm:000486654
Ganglioside GM3 (d18:1(4E)/8:0)
GM3(d18:1(4E)/8:0)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(octanoyl)-sphing-4-enine