Histidyl-Adenosine Monophosphate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
Molecular Identity
Histidyl-Adenosine Monophosphate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID: 444222
2D Structure
Properties
C16H21N8O8P
Molecular Formula
484.36
Molecular Weight
g/mol
484.1220
Exact Mass
Da
-6
XLogP
Drug-like (Lipinski: < 5)
247
TPSA
May have limited oral absorption
6
H-Bond Donors
14
H-Bond Acceptors
753
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(NC=N1)CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)NIsomeric SMILES
SMILES: C1=C(NC=N1)C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)NSynonyms(9)
HISTIDYL-ADENOSINE MONOPHOSPHATE(((2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)oxy)((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy))phosphinic acid{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidRefChem:788398HAMSCHEMBL29941636DB04201NS00071923Q27461031
Data from PubChem (NCBI)
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Trials and conditions connected to Histidyl-Adenosine Monophosphate
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