Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 18th, 2010 |
22 |
No
|
Other Names:
((2R,3S,4R,5R)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide; 3031-94-5; 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide; 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide; 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5-Aminoimidazole-4-carboxamide r
1-(5-phosphoribosyl)-5-amino-4-imidazolecarboxamide; 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide; 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5-Amino-4-imidazole carboxamide ribonucleotide; 5-amino-4-imidazolecarboxamide ribotide; 5-a
1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-
1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-; 5'-phosphoribosyl-5-amino-4-imidazolecarboxamide; 5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide; 5-Amino-4-imidazole carboxamide ribonucleotide; 5-Ami
3031-94-5; 5'-P-ribosyl-5-amino-4-imidazole carboxamide; 5'-phosphoribosyl-5-amino-4-imidazole carboxamide; 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5-amino-4-imidazolecarboxamide ribotide; AICA ribonucleotide; AICAR; Z-nucleotide; aminoimi
5'-P-Ribosyl-5-amino-4-imidazole carboxamide; 5'-Phosphoribosyl-5-amino-4-imidazole carboxamide; 5-Amino-4-imidazolecarboxamide ribotide; AICA ribonucleotide; Aminoimidazole carboxamide ribonucleotide; Z-Nucleotide
5'-P-Ribosyl-5-amino-4-imidazole carboxamide;5'-Phosphoribosyl-5-amino-4-imidazole carboxamide;5-Amino-4-imidazolecarboxamide ribotide;AICA ribonucleotide;Aminoimidazole carboxamide ribonucleotide;Z-Nucleotide
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide dianion
AICA ribonucleotide
CHEBI:18966; CHEBI:573; CHEBI:12102
[(2R,3S,4R,5R)-5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-2.81 |
-6.91 |
-215.67 |
7 |
12 |
0 |
208 |
338.213 |
5 |
↓
|
|
Hi
High (pH 8-9.5)
|
-2.81 |
-7.86 |
-21.88 |
5 |
12 |
0 |
205 |
336.197 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
-2.81 |
-8.04 |
-65.34 |
8 |
12 |
0 |
205 |
339.221 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
-2.81 |
-7.91 |
-67.44 |
6 |
12 |
0 |
206 |
337.205 |
5 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| UniProt Database Links |
HIS4_ARATH; HIS51_CAMJE; HIS51_CAMJJ; HIS51_CAMJR; HIS51_LEGPA; HIS51_LEGPH; HIS51_LEGPL; HIS51_METMP; HIS51_NITWN; HIS51_PROMM; HIS51_PSEAE; HIS51_SYNPX; HIS51_VIBVY; HIS52_CAMJE; HIS52_CAMJR; HIS52_LEGPA; HIS52_LEGPH; HIS52_LEGPL; HIS52_METMP; HIS52_NIT |
ChEBI |
| UniProt Database Links |
PUR6_CAEEL; PUR6_CHICK; PUR6_DROME; PUR6_HUMAN; PUR6_MOUSE; PUR6_PONAB; PUR6_RAT; PUR71_AGRT5; PUR71_BRADU; PUR71_CAUCR; PUR71_RHILO; PUR72_AGRT5; PUR72_BRADU; PUR72_CAUCR; PUR72_RHILO; PUR7_ACAM1; PUR7_ACIAD; PUR7_ACIB3; PUR7_ACIB5; PUR7_ACIBC; PUR7_ACIB |
ChEBI |
| Reactome Database Links |
REACT_1463; REACT_812 |
ChEBI |
| Patent Database Links |
WO2007109871 |
ChEBI |
Direct Reactome Annotations (via ChEBI)
| Description |
Species |
|
De novo synthesis of IMP |
|
|
Purine ribonucleoside monophosphate biosynthesis |
|
No pre-computed analogs available. Try a structural similarity search.
