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CHEBI:190152 - Disialosyl galactosyl globoside

Default Structure
ChEBI IDCHEBI:190152
ChEBI NameDisialosyl galactosyl globoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H59N3O27
Net Charge0
Average Mass965.862
Monoisotopic Mass965.33359
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](C=O)NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C36H59N3O27/c1-11(44)37-14(6-40)28(25(54)19(51)10-61-35(33(57)58)4-15(47)21(38-12(2)45)29(64-35)23(52)17(49)7-41)63-32-27(56)31(26(55)20(9-43)62-32)66-36(34(59)60)5-16(48)22(39-13(3)46)30(65-36)24(53)18(50)8-42/h6,14-32,41-43,47-56H,4-5,7-10H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58)(H,59,60)/t14-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36-/m0/s1
InChIKeySKJCZIMWAATHMG-CZYIXMLQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
Disialosyl galactosyl globoside (CHEBI:190152) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
(2R,4S,5R,6R)-5-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxy-6-oxohexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Manual XrefsDatabases
112280ChemSpider
HMDB0006588HMDB
Registry NumbersSources
CAS:71764-07-3ChemIDplus