KEGG   COMPOUND: C00785
Entry
C00785                      Compound                               
Name
Urocanate;
Urocanic acid
Formula
C6H6N2O2
Exact mass
138.0429
Mol weight
138.124
Structure
Reaction
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
Module
M00045  Histidine degradation, histidine => N-formiminoglutamate => glutamate
Enzyme
1.3.99.33       4.2.1.49        4.3.1.3
Other DBs
CAS: 104-98-3
PubChem: 4043
ChEBI: 27247 30817
PDB-CCD: URO[PDBj]
3DMET: B01329
NIKKAJI: J5.039C
LinkDB
KCF data

ATOM        10
            1   C8x C    17.8355  -16.5228
            2   N5x N    18.2674  -17.8545
            3   C8y C    19.6674  -17.8553
            4   C8x C    20.1008  -16.5241
            5   N4x N    18.9686  -15.7006
            6   C2b C    20.8824  -18.5500
            7   C2b C    22.0949  -17.8500
            8   C6a C    23.3073  -18.5500
            9   O6a O    24.5197  -17.8500
            10  O6a O    23.3073  -19.9500
BOND        10
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 1
            10    8  10 2

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