KEGG   COMPOUND: C15996Help
Entry
C15996                      Compound                               

Name
7-Cyano-7-carbaguanine;
7-Cyano-7-deazaguanine
Formula
C7H5N5O
Exact mass
175.0494
Mol weight
175.1475
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00790  Folate biosynthesis
map01100  Metabolic pathways
Enzyme
1.7.1.13        6.3.4.20
Other DBs
PubChem: 47205307
ChEBI: 45075
ChEMBL: CHEMBL577120
PDB-CCD: PQ0[PDBj]
NIKKAJI: J2.722.757K
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    22.8301  -21.3752
            2   C8y C    22.8243  -19.8669
            3   N5x N    24.0229  -22.1002
            4   N4x N    21.6258  -21.7904
            5   C8y C    23.9935  -19.1828
            6   C8y C    21.6316  -19.4402
            7   C8y C    25.2623  -21.3986
            8   C8x C    20.7898  -20.5802
            9   N4x N    25.2740  -19.9254
            10  O5x O    23.9935  -17.8498
            11  N1a N    26.4725  -22.1061
            12  C3b C    21.2291  -18.1186
            13  N3a N    19.8498  -17.7985
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    7  11 1
            11    6   8 2
            12    7   9 1
            13    6  12 1
            14   12  13 3

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