KEGG   COMPOUND: C05926
Entry
C05926                      Compound                               
Name
Neopterin;
[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one;
[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one;
[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on;
6-(D-erythro-1,2,3-Trihydroxypropyl)pterin;
6-D-erythro-Neopterin;
D-erythro-Neopterin;
D-Neopterin
Formula
C9H11N5O4
Exact mass
253.0811
Mol weight
253.2147
Structure
Reaction
R04622
Pathway
map00790  Folate biosynthesis
Other DBs
CAS: 2009-64-5
PubChem: 8214
PDB-CCD: NEU[PDBj]
3DMET: B01915
NIKKAJI: J108.020B
LinkDB
KCF data

ATOM        18
            1   C8y C    20.9156  -17.5934
            2   C8y C    20.9222  -16.1912
            3   N5x N    22.1313  -18.3074
            4   N5x N    19.7000  -18.3009
            5   N5x N    22.1442  -15.4965
            6   C8y C    19.7000  -15.4900
            7   C8x C    23.3535  -17.6128
            8   C8y C    18.4778  -17.5999
            9   C8y C    23.3600  -16.2041
            10  N4x N    18.4778  -16.1912
            11  O5x O    19.6871  -14.0878
            12  N1a N    17.2685  -18.2946
            13  C1c C    24.5691  -15.5094
            14  C1c C    25.7721  -16.2106
            15  O1a O    24.5562  -14.1136
            16  C1b C    25.7656  -17.6128
            17  O1a O    26.9749  -15.5029
            18  O1a O    26.9170  -18.3009
BOND        19
            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 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   13  14 1
            14   13  15 1 #Down
            15   14  16 1
            16   14  17 1 #Down
            17   16  18 1
            18    7   9 1
            19    8  10 1

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