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Ganglioside GT1a (d18:1(4E)/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102856Image of MNXM1102856
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC97H166N5O47
charge-3
mass2153.07696
referenceslm:000486730
InChIKeySBENYKASZREYMU-DKSDDQIKSA-K
InChIInChI=1S/C97H169N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(120)102-54(55(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-136-89-77(127)76(126)80(64(47-108)139-89)141-91-79(129)87(149-97(94(134)135)41-57(116)68(99-51(4)111)84(146-97)72(122)60(119)43-104)81(65(48-109)140-91)142-88-70(101-53(6)113)82(73(123)61(44-105)137-88)143-90-78(128)86(74(124)62(45-106)138-90)148-96(93(132)133)40-58(117)69(100-52(5)112)85(147-96)75(125)63(46-107)144-95(92(130)131)39-56(115)67(98-50(3)110)83(145-95)71(121)59(118)42-103/h35,37,54-65,67-91,103-109,114-119,121-129H,7-34,36,38-49H2,1-6H3,(H,98,110)(H,99,111)(H,100,112)(H,101,113)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/p-3/b37-35+/t54-,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-,95+,96-,97-/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)CCCCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486730
slm:000486730
Ganglioside GT1a (d18:1(4E)/20:0)
GT1a(d18:1(4E)/20:0)
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-(eicosanoyl)-sphing-4-enine
lipidmaps:LMSP0601AW03
lipidmapsM:LMSP0601AW03
GT1a(d18:1/20:0)
Hex(3)-HexNAc-NeuAc(3)-Cer 38:1
NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0)
O2