KEGG   COMPOUND: C04916
Entry
C04916                      Compound                               
Name
N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide;
5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide;
Phosphoribulosyl-formimino-AICAR-phosphate;
5-[(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide
Formula
C15H25N5O15P2
Exact mass
577.0822
Mol weight
577.331
Structure
Reaction
R04558 R04640 R12152
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01230  Biosynthesis of amino acids
Module
M00026  Histidine biosynthesis, PRPP => histidine
Enzyme
4.3.2.10        5.3.1.16
Other DBs
PubChem: 7464
ChEBI: 27735
PDB-CCD: 2ER[PDBj]
3DMET: B01804
NIKKAJI: J2.760.456K
LinkDB
KCF data

ATOM        37
            1   N4y N    28.5937  -14.0122
            2   C1y C    27.6399  -15.2393
            3   C8y C    29.9927  -14.0122
            4   C8x C    28.1787  -12.6843
            5   O2x O    26.5073  -14.4270
            6   C1y C    27.2061  -16.5671
            7   C8y C    30.4192  -12.6843
            8   N5x N    29.2939  -11.8720
            9   C1y C    25.3865  -15.2393
            10  C1y C    25.8073  -16.5671
            11  O1a O    28.0244  -17.6939
            12  C1b C    24.0703  -14.8067
            13  O1a O    24.9890  -17.6880
            14  O2b O    23.7864  -13.4429
            15  P1b P    22.3931  -13.4370
            16  O1c O    21.0058  -13.4370
            17  O1c O    22.3931  -12.0496
            18  O1c O    22.3874  -14.8301
            19  C5a C    31.6624  -11.9700
            20  N1a N    32.8749  -12.6700
            21  O5a O    31.6639  -10.5702
            22  N2b N    31.1724  -14.7000
            23  C2b C    32.3849  -14.0000
            24  N1b N    33.5973  -14.7000
            25  C1b C    34.8097  -14.0000
            26  C5a C    36.0222  -14.7000
            27  C1c C    37.2346  -14.0000
            28  C1c C    38.4470  -14.7000
            29  C1b C    39.6595  -14.0000
            30  O2b O    40.8946  -14.7134
            31  O5a O    36.0222  -16.0997
            32  O1a O    37.2346  -12.6000
            33  O1a O    38.4470  -16.0999
            34  P1b P    42.2946  -14.7134
            35  O1c O    43.6946  -14.7134
            36  O1c O    42.2947  -13.3001
            37  O1c O    42.2944  -16.0999
BOND        38
            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     4   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1 #Down
            11    9  12 1 #Up
            12   10  13 1 #Down
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   15  18 2
            18    7   8 1
            19    9  10 1
            20    7  19 1
            21   19  20 1
            22   19  21 2
            23    3  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   26  31 2
            33   27  32 1 #Down
            34   28  33 1 #Up
            35   30  34 1
            36   34  35 1
            37   34  36 2
            38   34  37 1

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