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CHEBI:142827 - GM1-GM1 dimer

ChEBI IDCHEBI:142827
ChEBI NameGM1-GM1 dimer
Stars
DefinitionA ganglioside derivative derived from two GM1 skeletons linked through their amino nitrogen atoms by an adipoyl (hexanedioyl) group.
Last Modified21 December 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC118H204N6O62
Net Charge0
Average Mass2698.910
Monoisotopic Mass2697.29946
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NCCC(=O)CCCCC(=O)N[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H](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)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C118H204N6O62/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-36-62(140)60(53-167-109-93(159)89(155)97(72(49-131)173-109)177-113-95(161)105(185-117(115(163)164)41-64(142)77(120-55(3)135)103(183-117)81(147)66(144)43-125)99(74(51-133)175-113)179-107-79(122-57(5)137)101(85(151)70(47-129)169-107)181-111-91(157)87(153)83(149)68(45-127)171-111)119-40-39-59(139)35-33-34-38-76(146)124-61(63(141)37-32-30-28-26-24-22-20-18-16-14-12-10-8-2)54-168-110-94(160)90(156)98(73(50-132)174-110)178-114-96(162)106(186-118(116(165)166)42-65(143)78(121-56(4)136)104(184-118)82(148)67(145)44-126)100(75(52-134)176-114)180-108-80(123-58(6)138)102(86(152)71(48-130)170-108)182-112-92(158)88(154)84(150)69(46-128)172-112/h31-32,36-37,60-75,77-114,119,125-134,140-145,147-162H,7-30,33-35,38-54H2,1-6H3,(H,120,135)(H,121,136)(H,122,137)(H,123,138)(H,124,146)(H,163,164)(H,165,166)/b36-31+,37-32+/t60-,61-,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,77+,78+,79+,80+,81+,82+,83-,84-,85-,86-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107-,108-,109+,110+,111-,112-,113-,114-,117-,118-/m0/s1
InChIKeyKIZLLNDCILYOHF-MWMQRPIDSA-N
ChEBI Ontology
Outgoing Relation(s)
GM1-GM1 dimer (CHEBI:142827) has functional parent ganglioside GM1 (CHEBI:61048)
GM1-GM1 dimer (CHEBI:142827) is a ganglioside derivative (CHEBI:63535)
IUPAC Name 
(2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-3,8-dioxooctyl)amino]-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
(2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[α-N-acetylneuraminyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-3,8-dioxooctyl)amino]-3-hydroxyoctadec-4-en-1-yl α-N-acetylneuraminyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucosideChEBI
(2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[α-N-acetylneuraminosyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-3,8-dioxooctyl)amino]-3-hydroxyoctadec-4-en-1-yl α-N-N-acetylneuraminosyl-(2→3)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucosideChEBI
GM1-GM1ChEBI
GM1-GM1ChEBI
GM1-GM1 dimerChEBI
Citations