KEGG   COMPOUND: C04677
Entry
C04677                      Compound                               
Name
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide;
5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide;
5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide;
AICAR;
5-Aminoimidazole-4-carboxamide ribotide;
5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole;
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;
5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide
Formula
C9H15N4O8P
Exact mass
338.0628
Mol weight
338.2112
Structure
Reaction
R04378 R04558 R04559 R04560 R06975 R12152
Pathway
map00230  Purine metabolism
map00340  Histidine metabolism
map01060  Biosynthesis of plant secondary metabolites
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04152  AMPK signaling pathway
Module
M00048  De novo purine biosynthesis, PRPP + glutamine => IMP
Enzyme
2.1.2.3         2.4.2.7         4.3.2.2         4.3.2.10        
6.3.4.23
Other DBs
CAS: 3031-94-5
PubChem: 7258
ChEBI: 18406
KNApSAcK: C00007383
PDB-CCD: AMZ[PDBj]
3DMET: B01774
NIKKAJI: J7.665A
LinkDB
KCF data

ATOM        22
            1   N4y N    19.4556  -13.8908
            2   C1y C    18.4958  -15.1193
            3   C8y C    20.8569  -13.8908
            4   C8x C    19.0333  -12.5600
            5   O2x O    17.3570  -14.3131
            6   C1y C    18.0608  -16.4502
            7   C8y C    21.2855  -12.5600
            8   N1a N    21.6757  -15.0169
            9   N5x N    20.1529  -11.7538
            10  C1y C    16.2437  -15.1193
            11  C1y C    16.6659  -16.4502
            12  O1a O    18.8797  -17.5763
            13  C5a C    22.6035  -12.1249
            14  C1b C    14.9193  -14.6842
            15  O1a O    15.8405  -17.5763
            16  N1a N    23.6401  -13.0591
            17  O5a O    22.8851  -10.7620
            18  O2b O    14.6376  -13.3215
            19  P1b P    13.2365  -13.3215
            20  O1c O    11.8481  -13.3215
            21  O1c O    13.2429  -11.9330
            22  O1c O    13.2301  -14.7163
BOND        23
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13   10  14 1 #Up
            14   11  15 1 #Down
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 2
            22    7   9 1
            23   10  11 1

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