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CHEBI:89636 - Ganglioside GD3 (d18:1/16:0)

ChEBI IDCHEBI:89636
ChEBI NameGanglioside GD3 (d18:1/16:0)
Stars
DownloadsMolfile
FormulaC68H121N3O29
Net Charge0
Average Mass1444.708
Monoisotopic Mass1443.80857
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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C68H121N3O29/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(78)42(71-50(82)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-93-63-57(87)56(86)59(49(38-75)95-63)96-64-58(88)62(54(84)47(36-73)94-64)100-68(66(91)92)34-45(80)52(70-41(4)77)61(99-68)55(85)48(37-74)97-67(65(89)90)33-44(79)51(69-40(3)76)60(98-67)53(83)46(81)35-72/h29,31,42-49,51-64,72-75,78-81,83-88H,5-28,30,32-39H2,1-4H3,(H,69,76)(H,70,77)(H,71,82)(H,89,90)(H,91,92)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57?,58+,59+,60?,61?,62-,63+,64-,67+,68-/m0/s1
InChIKeyWGTSGZPPZIZIMI-SMHGBGSGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) breast milk (ENVO:02000031) PubMed (10887501)
ChEBI Ontology
Outgoing Relation(s)
Ganglioside GD3 (d18:1/16:0) (CHEBI:89636) is a ganglioside (CHEBI:28892)
Synonyms  Source
Ganglioside Glac2HMDB
GD3HMDB
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramideHMDB
Ganglioside GD3HMDB
N,N'-Diacetyl-Ganglioside GD3HMDB
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-delta-galactosyl-1,4-beta-glucosyl-1,1'-ceramideHMDB
Manual XrefsDatabases
HMDB0004913HMDB
Registry NumbersSources
CAS:104443-61-0KEGG COMPOUND
Citations