CHEBI:142827 - GM1-GM1 dimer

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name GM1-GM1 dimer
ChEBI ID CHEBI:142827
Definition A ganglioside derivative derived from two GM1 skeletons linked through their amino nitrogen atoms by an adipoyl (hexanedioyl) group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C118H204N6O62
Net Charge 0
Average Mass 2698.890
Monoisotopic Mass 2697.29946
InChI InChI=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
InChIKey KIZLLNDCILYOHF-MWMQRPIDSA-N
SMILES O([C@@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NCCC(CCCCC(N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@@H]2O[C@@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)NC(C)=O)O[C@@]6(C[C@@H]([C@H]([C@@](O6)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)[C@@H]([C@H]2O)O)CO)=O)=O)[C@@H]([C@H]1O)O)CO)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(C)=O)O[C@@]%10(C[C@@H]([C@H]([C@@](O%10)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O
ChEBI Ontology
Outgoing 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 Sources
(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-glucoside ChEBI
(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-glucoside ChEBI
GM1-GM1 ChEBI
GM1-GM1 ChEBI
GM1-GM1 dimer ChEBI
Citation Waiting for Citations Type Source
21921061 PubMed citation Europe PMC
Last Modified
21 December 2018