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Ganglioside Ac-O-9-GT1b (d18:1(4E)/16:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1103162Image of MNXM1103162
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC95H160N5O48
charge-3
mass2139.02492
referenceslm:000779290
InChIKeyFVTVEJKXQQWFAS-VBZNSBCESA-K
InChIInChI=1S/C95H163N5O48/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-53(112)52(100-64(118)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)45-135-87-75(125)74(124)78(62(43-105)138-87)140-89-77(127)85(148-95(92(132)133)38-56(115)67(98-49(5)109)83(146-95)73(123)61(42-104)143-93(90(128)129)36-54(113)66(97-48(4)108)82(144-93)70(120)58(117)46-134-51(7)111)79(63(44-106)139-89)141-86-68(99-50(6)110)80(71(121)59(40-102)136-86)142-88-76(126)84(72(122)60(41-103)137-88)147-94(91(130)131)37-55(114)65(96-47(3)107)81(145-94)69(119)57(116)39-101/h32,34,52-63,65-89,101-106,112-117,119-127H,8-31,33,35-46H2,1-7H3,(H,96,107)(H,97,108)(H,98,109)(H,99,110)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/p-3/b34-32+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85+,86-,87+,88-,89-,93+,94-,95-/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](O)CO)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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000779290
slm:000779290
Ganglioside Ac-O-9-GT1b (d18:1(4E)/16:0)
Ac-O-9-GT1b (d18:1(4E)/16:0)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetyl-9-O-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-hexadecanoyl-sphing-4E-enine
lipidmaps:LMSP0601BL01
lipidmapsM:LMSP0601BL01
9-0-acetyl GTb1(d18:1/16:0)
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0)