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Ganglioside GD1b (d18:1(4E)/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102878Image of MNXM1102878
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC86H150N4O39
charge-2
mass1862.98882
referenceslm:000487324
InChIKeyCEAJJADEJKBSNT-BXYHQAJASA-L
InChIInChI=1S/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-71(112)69(110)73(58(44-95)121-80)123-82-72(113)78(74(59(45-96)122-82)124-79-63(89-49(5)99)75(66(107)56(42-93)119-79)125-81-70(111)68(109)65(106)55(41-92)120-81)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/p-2/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67+,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82-,85+,86-/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@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)CO)O4)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:000487324
slm:000487324
Ganglioside GD1b (d18:1(4E)/20:0)
GD1b(d18:1(4E)/20:0)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(eicosanoyl)-sphing-4-enine
lipidmaps:LMSP0601AQ03
lipidmapsM:LMSP0601AQ03
GD1b(d18:1/20:0)
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0)
Hex(3)-HexNAc-NeuAc(2)-Cer 38:1
O2