KEGG   COMPOUND: C02470
Entry
C02470                      Compound                               
Name
Xanthurenic acid;
Xanthurenate
Formula
C10H7NO4
Exact mass
205.0375
Mol weight
205.1669
Structure
Reaction
Pathway
map00380  Tryptophan metabolism
Enzyme
2.1.1.-         2.6.1.7         2.6.1.63
Other DBs
CAS: 59-00-7
PubChem: 5485
ChEBI: 71201
PDB-CCD: 4KL[PDBj]
3DMET: B00447
NIKKAJI: J8.600B
KCF data

ATOM        15
            1   C8y C    17.1735  -15.4962
            2   C8y C    17.1735  -14.0930
            3   N5x N    18.4045  -16.1981
            4   C8y C    15.9615  -16.2044
            5   C8y C    18.3918  -13.3786
            6   C8x C    15.9615  -13.3978
            7   C8y C    19.6293  -15.5027
            8   C8x C    14.7560  -15.4962
            9   O1a O    15.9552  -17.5948
            10  C8x C    19.6165  -14.0867
            11  O1a O    18.3855  -11.9944
            12  C8x C    14.7560  -14.0930
            13  C6a C    20.8285  -16.1916
            14  O6a O    20.8285  -17.5821
            15  O6a O    22.0277  -15.4962
BOND        16
            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     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   13  14 1
            14   13  15 2
            15    7  10 1
            16    8  12 1

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