CHEBI:141461 - ganglioside GM2 (5:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ganglioside GM2 (5:0)
ChEBI ID CHEBI:141461
Definition A sialotriaosylceramide that is N-acetyl-β-D-galactosaminyl-(1→4)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is pentanoyl. A synthetic modification of the natural ganglioside GM2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C54H95N3O26
Net Charge 0
Average Mass 1202.339
Monoisotopic Mass 1201.62038
InChI InChI=1S/C54H95N3O26/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-31(64)30(57-37(67)21-8-6-2)27-76-51-44(72)43(71)46(35(25-60)78-51)80-52-45(73)49(47(36(26-61)79-52)81-50-39(56-29(4)63)42(70)41(69)34(24-59)77-50)83-54(53(74)75)22-32(65)38(55-28(3)62)48(82-54)40(68)33(66)23-58/h19-20,30-36,38-52,58-61,64-66,68-73H,5-18,21-27H2,1-4H3,(H,55,62)(H,56,63)(H,57,67)(H,74,75)/b20-19+/t30-,31+,32-,33+,34+,35+,36+,38+,39+,40+,41-,42+,43+,44+,45+,46+,47-,48+,49+,50-,51+,52-,54-/m0/s1
InChIKey KCVPFCRJVTUWDX-PQMAQNGASA-N
SMILES [C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O
ChEBI Ontology
Outgoing ganglioside GM2 (5:0) (CHEBI:141461) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(pentanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms Sources
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-pentanoylsphingosine ChEBI
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-pentanoylsphingosine ChEBI
Citation Waiting for Citations Type Source
1691018 PubMed citation Europe PMC
Last Modified
19 July 2018