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CHEBI:141481 - ganglioside GM2 (18:0) NeuAc-C7-de(1,2,-dihydroxyethyl)

ChEBI IDCHEBI:141481
ChEBI Nameganglioside GM2 (18:0) NeuAc-C7-de(1,2,-dihydroxyethyl)
Stars
DefinitionA sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo residue is truncated at C-7.
Last Modified23 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC65H117N3O24
Net Charge0
Average Mass1324.648
Monoisotopic Mass1323.80270
SMILES[H][C@@]1(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](NC(=O)CCCCCCCCCCCCCCCCC)[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]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C65H117N3O24/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(77)68-43(44(75)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-85-62-56(81)55(80)58(48(38-71)87-62)89-63-57(82)60(92-65(64(83)84)35-45(76)51(66-41(3)73)46(36-69)91-65)59(49(39-72)88-63)90-61-52(67-42(4)74)54(79)53(78)47(37-70)86-61/h31,33,43-49,51-63,69-72,75-76,78-82H,5-30,32,34-40H2,1-4H3,(H,66,73)(H,67,74)(H,68,77)(H,83,84)/b33-31+/t43-,44+,45-,46-,47+,48+,49+,51+,52+,53-,54+,55+,56+,57+,58+,59-,60+,61-,62+,63-,65-/m0/s1
InChIKeyIDOBCXSIRCLJKQ-RLDUHINCSA-N
ChEBI Ontology
Outgoing Relation(s)
ganglioside GM2 (18:0) NeuAc-C7-de(1,2,-dihydroxyethyl) (CHEBI:141481) has functional parent ganglioside GM2 (18:0) (CHEBI:60327)
ganglioside GM2 (18:0) NeuAc-C7-de(1,2,-dihydroxyethyl) (CHEBI:141481) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-β-L-arabino-hept-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
GM2 (NeuAc C7)ChEBI
GM2-NeuAc-C7ChEBI
GM2 NeuAc C7ChEBI
ganglioside GM2 (NeuAc C7)ChEBI
ganglioside GM2 (18:0) (NeuAc C7)ChEBI
Citations