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Ganglioside GT1a (d18:1(4E)/6:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525136Image of MNXM525136
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC83H138N5O47
charge-3
mass1956.85786
referenceslm:000486735
InChIKeyFXCZOLYEAIECGB-ZKNONKOWSA-K
InChIInChI=1S/C83H141N5O47/c1-7-9-11-12-13-14-15-16-17-18-19-20-22-23-41(100)40(88-52(106)24-21-10-8-2)35-122-75-63(113)62(112)66(50(33-94)125-75)127-77-65(115)73(135-83(80(120)121)27-43(102)54(85-37(4)97)70(132-83)58(108)46(105)29-90)67(51(34-95)126-77)128-74-56(87-39(6)99)68(59(109)47(30-91)123-74)129-76-64(114)72(60(110)48(31-92)124-76)134-82(79(118)119)26-44(103)55(86-38(5)98)71(133-82)61(111)49(32-93)130-81(78(116)117)25-42(101)53(84-36(3)96)69(131-81)57(107)45(104)28-89/h22-23,40-51,53-77,89-95,100-105,107-115H,7-21,24-35H2,1-6H3,(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,106)(H,116,117)(H,118,119)(H,120,121)/p-3/b23-22+/t40-,41+,42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,53+,54+,55+,56+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72-,73+,74-,75+,76-,77-,81+,82-,83-/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]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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486735
slm:000486735
Ganglioside GT1a (d18:1(4E)/6:0)
GT1a(d18:1(4E)/6:0)
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->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(hexanoyl)-sphing-4-enine