Monosialotetrahexosylganglioside
sodium N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,5R)-5-acetamido-4-hydroxy-2-methyl-6-[(2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
Molecular Identity
Monosialotetrahexosylganglioside
sodium N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,5R)-5-acetamido-4-hydroxy-2-methyl-6-[(2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
PubChem CID: 172642652
2D Structure
Properties
C73H133N3NaO29+
Molecular Formula
1539.80
Molecular Weight
g/mol
1538.8922
Exact Mass
Da
503
TPSA
May have limited oral absorption
19
H-Bond Donors
29
H-Bond Acceptors
2400
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)C(C=CCCCCCCCCCCCCC)O.[Na+]Isomeric SMILES
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O)O)NC(=O)C)O[C@@]5(CC([C@H](C(O5)C([C@@H](CO)O)O)NC(=O)C)O)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O.[Na+]Synonyms(5)
prototype gangliosideMonosialogangl ioside GM1MonosialotetrahexosylgangliosideOG03918Gal(b1-3)GalNAc(b1-4)[Neu5Ac(a2-3)]Gal(b1-4)Glc(b1-1)Cers
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Monosialotetrahexosylganglioside
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