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

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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
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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
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Registry Number Type Source
104443-61-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10887501 PubMed citation Europe PMC
11571697 PubMed citation Europe PMC
1292783 PubMed citation Europe PMC
15024124 PubMed citation Europe PMC
2403416 PubMed citation Europe PMC
7819150 PubMed citation Europe PMC
8155384 PubMed citation Europe PMC
9761454 PubMed citation Europe PMC