Feedback

Ganglioside GT1a (d18:1(4E)/8:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM525137Image of MNXM525137
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC85H142N5O47
charge-3
mass1984.88916
referenceslm:000486739
InChIKeyKPNYJGHEAASAMU-BOZWJGFSSA-K
InChIInChI=1S/C85H145N5O47/c1-7-9-11-13-14-15-16-17-18-19-20-22-23-25-43(102)42(90-54(108)26-24-21-12-10-8-2)37-124-77-65(115)64(114)68(52(35-96)127-77)129-79-67(117)75(137-85(82(122)123)29-45(104)56(87-39(4)99)72(134-85)60(110)48(107)31-92)69(53(36-97)128-79)130-76-58(89-41(6)101)70(61(111)49(32-93)125-76)131-78-66(116)74(62(112)50(33-94)126-78)136-84(81(120)121)28-46(105)57(88-40(5)100)73(135-84)63(113)51(34-95)132-83(80(118)119)27-44(103)55(86-38(3)98)71(133-83)59(109)47(106)30-91/h23,25,42-53,55-79,91-97,102-107,109-117H,7-22,24,26-37H2,1-6H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,108)(H,118,119)(H,120,121)(H,122,123)/p-3/b25-23+/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74-,75+,76-,77+,78-,79-,83+,84-,85-/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)CCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
SLM:000486739
slm:000486739
Ganglioside GT1a (d18:1(4E)/8:0)
GT1a(d18:1(4E)/8:0)
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-(octanoyl)-sphing-4-enine