Molecules/Monosialoganglioside GM1

Monosialoganglioside GM1

(2S,4S,5R,6S)-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,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C73H131N3O311546.80 g/molCID 5497107

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Molecular Identity

Monosialoganglioside GM1

PubChem CID: 5497107

2D Structure

Properties

C₇₃H₁₃₁N₃O₃₁

Molecular Formula

1546.80

Molecular Weight

g/mol

1545.8767

Exact Mass

XLogP

Drug-like (Lipinski: < 5)

541

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2500

Complexity

SMILES

Canonical SMILES

SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@H](O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

Synonyms(19)

Monosialoganglioside GM1GM1aSygenGanglioside GIGanglioside A2GM1-GangliosideGanglioside GM1aGanglioside GGtet1Ganglioside G4 (7CI)Ganglioside GM1, monosialoSCHEMBL29359311Cer-Glc-Gal(NeuAc)-GalNAc-GalG(M1)M1,Sialosylganglio-N-tetraosylceramideGM1 (stereochemistry not completely specified)

Data from PubChem (NCBI)

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Molecular Structure

Monosialoganglioside GM1

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Source: PubChem

Drug Network

Trials and conditions connected to Monosialoganglioside GM1

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