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GM1-GD1a hybrid ganglioside dimer

http://purl.obolibrary.org/obo/CHEBI_142829

A ganglioside derivative derived from a GM1 skeleton linked to a GD1a skeleton through their respective amino nitrogen atoms by an adipoyl (hexanedioyl) group.

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Term info

Label

GM1-GD1a hybrid ganglioside dimer

Synonyms

(2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-6-oxooctanoyl)amino]-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside

database cross reference

Subsets

3_STAR

IUPAC NAME

(2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-6-oxooctanoyl)amino]-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside [ IUPAC ]

charge

formula

C129H221N7O70

has obo namespace

chebi_ontology

has related synonym

GM1-GD1a hybrid dimer, GM1-GD1a, (2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-6-oxooctanoyl)amino]-3-hydroxyoctadec-4-en-1-yl alpha-N-acetylneuraminosyl-(2->3)-[alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucoside, (2S,3R,4E)-2-[(8-{[(2S,3R,4E)-1-{[alpha-N-acetylneuraminyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]amino}-6-oxooctanoyl)amino]-3-hydroxyoctadec-4-en-1-yl alpha-N-acetylneuraminyl-(2->3)-[alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucoside

CHEBI:142829

inchi

InChI=1S/C129H221N7O70/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-37-66(154)64(56-185-118-99(174)96(171)104(78(52-144)191-118)195-122-102(177)114(205-128(125(181)182)43-69(157)84(132-59(4)149)111(202-128)89(164)72(160)46-138)106(80(54-146)193-122)197-116-86(134-61(6)151)108(92(167)75(49-141)187-116)199-120-98(173)95(170)91(166)74(48-140)189-120)130-41-40-63(153)36-34-35-39-82(162)136-65(67(155)38-33-31-29-27-25-23-21-19-17-15-13-11-9-2)57-186-119-100(175)97(172)105(79(53-145)192-119)196-123-103(178)115(206-129(126(183)184)44-70(158)85(133-60(5)150)112(203-129)90(165)73(161)47-139)107(81(55-147)194-123)198-117-87(135-62(7)152)109(93(168)76(50-142)188-117)200-121-101(176)113(94(169)77(51-143)190-121)204-127(124(179)180)42-68(156)83(131-58(3)148)110(201-127)88(163)71(159)45-137/h32-33,37-38,64-81,83-123,130,137-147,154-161,163-178H,8-31,34-36,39-57H2,1-7H3,(H,131,148)(H,132,149)(H,133,150)(H,134,151)(H,135,152)(H,136,162)(H,179,180)(H,181,182)(H,183,184)/b37-32+,38-33+/t64-,65-,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,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+,115+,116-,117-,118+,119+,120-,121-,122-,123-,127-,128-,129-/m0/s1

inchikey

INAPYYCUKZHCAE-ILDIJVPWSA-N

mass

2990.145

monoisotopicmass

2988.39487

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[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)NC(C)=O)O[C@@]7(C[C@@H]([C@H]([C@@](O7)([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]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)NC(C)=O)O[C@@]%11(C[C@@H]([C@H]([C@@](O%11)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O

Term relations

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