5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
Molecular Identity
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
PubChem CID: 165388
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is an aminoimidazole, a 1-(phosphoribosyl)imidazole and an imidazole-4-carboxylic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate and a 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-).
2D Structure
Properties
C9H14N3O9P
Molecular Formula
339.20
Molecular Weight
g/mol
339.0468
Exact Mass
Da
-3.2
XLogP
Drug-like (Lipinski: < 5)
198
TPSA
May have limited oral absorption
6
H-Bond Donors
11
H-Bond Acceptors
473
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)OIsomeric SMILES
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)OSynonyms(20)
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid5-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-((phosphonooxy)methyl)oxolan-2-yl)-1H-imidazole-4-carboxylic acidRefChem:1072611Carboxyaminoimidazole ribotide6001-14-5Carboxy-airCAIRAICOR4-Carboxy-5-aminoimidazole ribonucleotide5-amino-4-carboxyimidazole ribonucleotide5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate5MA501Z5DO
Data from PubChem (NCBI)
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Molecular Structure
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
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Drug Network
Trials and conditions connected to 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
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