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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ganglioside GD3 (d18:1/16:0)
ChEBI ID CHEBI:89636
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C68H121N3O29
Net Charge 0
Average Mass 1444.694
Monoisotopic Mass 1443.80857
InChI InChI=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
InChIKey WGTSGZPPZIZIMI-SMHGBGSGSA-N
SMILES [C@]1(C[C@@H]([C@H](C(O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)(C(=O)O)O[C@@H]([C@@H](O)C2O[C@@](C[C@@H]([C@H]2NC(=O)C)O)(O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O)O)O)C(=O)O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in breast milk (ENVO:02000031). See: PubMed
ChEBI Ontology
Outgoing Ganglioside GD3 (d18:1/16:0) (CHEBI:89636) is a ganglioside (CHEBI:28892)
Synonyms Sources
(2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-3-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,6R)-6-{[(2S,3R,4E)-2-hexadecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid HMDB
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide HMDB
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-delta-galactosyl-1,4-beta-glucosyl-1,1'-ceramide HMDB
Ganglioside GD3 HMDB
Ganglioside Glac2 HMDB
GD3 HMDB
Glac2 HMDB
II3(NeuAc)2-LacCer HMDB
LMG 4 HMDB
N,N'-Diacetyl-Ganglioside GD3 HMDB
N,N'-Diacetylganglioside GD3 HMDB
N-Acetylneuraminyl N-acetylneuraminylgalactosylglucosylceramide HMDB
NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer HMDB
NeuAc-alpha2->8NeuAc2->3LacCer HMDB
NeuAc-GD3 HMDB
Manual Xref Database
HMDB0004913 HMDB
View more database links
Registry Number Type Source
104443-61-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations