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CHEBI:177678 - Ganglioside GM1 (18:1/12:0)

ChEBI IDCHEBI:177678
ChEBI NameGanglioside GM1 (18:1/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H119N3O31
Net Charge0
Average Mass1462.679
Monoisotopic Mass1461.78275
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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[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)C1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C67H119N3O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(78)38(70-46(81)28-26-24-22-19-14-12-10-8-6-2)35-92-63-55(88)53(86)57(44(33-74)95-63)97-65-56(89)61(101-67(66(90)91)29-40(79)47(68-36(3)76)60(100-67)49(82)41(80)30-71)58(45(34-75)96-65)98-62-48(69-37(4)77)59(51(84)43(32-73)93-62)99-64-54(87)52(85)50(83)42(31-72)94-64/h25,27,38-45,47-65,71-75,78-80,82-89H,5-24,26,28-35H2,1-4H3,(H,68,76)(H,69,77)(H,70,81)(H,90,91)/b27-25+/t38-,39+,40-,41-,42+,43+,44+,45+,47+,48+,49-,50-,51-,52-,53+,54+,55?,56+,57+,58-,59+,60?,61+,62-,63+,64-,65-,67-/m0/s1
InChIKeyIGYLDXYJGKHLKB-NLEMAKTLSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Ganglioside GM1 (18:1/12:0) (CHEBI:177678) is a oligoglycosylceramide (CHEBI:36520)
IUPAC Name 
(2S,4S,5R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,6R)-6-[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0004853HMDB
16744870ChemSpider
CPD-7188MetaCyc
C04911KEGG COMPOUND