Molecules/G(M1) Ganglioside

G(M1) Ganglioside

(2S,4S,5R,6R)-5-acetamido-6-[3-[(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-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

C73H131N3O311546.80 g/molCID 6434235

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Molecular Identity

G(M1) Ganglioside

PubChem CID: 6434235

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)OCC(C(C5C(C(CC(O5)(C(=O)O)O)O)NC(=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)OCC(C([C@H]5[C@@H]([C@H](C[C@](O5)(C(=O)O)O)O)NC(=O)C)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

Synonyms(11)

G(M1) GangliosideCeramide, Monosialosyl TetraglycosylGanglioside, GM1Monosialoganglioside, GM1aTetraglycosyl Ceramide, MonosialosylRefChem:921973GM1 GangliosideMonosialosyl Tetraglycosyl CeramideMonosialogangloside GM1Ganglioside GM1 (VAN)SCHEMBL7336326

Data from PubChem (NCBI)

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Molecular Structure

G(M1) Ganglioside

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Source: PubChem

Drug Network

Trials and conditions connected to G(M1) Ganglioside

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