Aceneuramic Acid
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
Molecular Identity
Aceneuramic Acid
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
PubChem CID: 14017587
Aceneuramic acid is an N-acetylneuraminic acid that is keto-neuraminic acid in which one of the hydrogens of the amino group is replaced by an acetyl group. It is a member of N-acetylneuraminic acids, a member of acetamides and a 2-oxo monocarboxylic acid. It is functionally related to a keto-neuraminic acid. It is a conjugate acid of an aceneuramate.
2D Structure
Properties
C11H19NO9
Molecular Formula
309.27
Molecular Weight
g/mol
309.1060
Exact Mass
Da
-4.2
XLogP
Drug-like (Lipinski: < 5)
185
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
386
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC(C(CC(=O)C(=O)O)O)C(C(C(CO)O)O)OIsomeric SMILES
SMILES: CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)OSynonyms(20)
Aceneuramic acidAcido aceneuramicoAcide aceneuramique(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acidNPC-09DTXSID0050425UX001acidum aceneuramicumGZP2782OP0DTXCID9029807CHEBI:173082D-glycero-D-galacto-2-Nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-RefChem:936031GlyTouCan:G51494MYM09AX05
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aceneuramic Acid
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