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CHEBI:89635 - Ganglioside GM2 (d18:1/26:0)

ChEBI IDCHEBI:89635
ChEBI NameGanglioside GM2 (d18:1/26:0)
Stars
DownloadsMolfile
FormulaC75H137N3O26
Net Charge0
Average Mass1496.916
Monoisotopic Mass1495.94903
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C75H137N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(88)78-51(52(85)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-97-72-65(93)64(92)67(56(46-81)99-72)101-73-66(94)70(68(57(47-82)100-73)102-71-60(77-50(4)84)63(91)62(90)55(45-80)98-71)104-75(74(95)96)43-53(86)59(76-49(3)83)69(103-75)61(89)54(87)44-79/h39,41,51-57,59-73,79-82,85-87,89-94H,5-38,40,42-48H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,95,96)/b41-39+/t51-,52+,53-,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68-,69?,70+,71-,72+,73-,75-/m0/s1
InChIKeyMSUCTRZPJLOZLE-KKBFWMGOSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) breast milk (ENVO:02000031) PubMed (10887501)
ChEBI Ontology
Outgoing Relation(s)
Ganglioside GM2 (d18:1/26:0) (CHEBI:89635) is a glycosylceramide (CHEBI:62941)
Synonyms  Source
N-Acetylganglioside GM2HMDB
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosineHMDB
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramideHMDB
Ganglioside GM2HMDB
N-Acetyl-Ganglioside GM2HMDB
GM2HMDB
Manual XrefsDatabases
CPD-1100MetaCyc
HMDB0004944HMDB
GM2Wikipedia
Registry NumbersSources
CAS:104443-57-4KEGG COMPOUND
Citations