KEGG   COMPOUND: C00499
Entry
C00499                      Compound                               

Name
Allantoate;
Allantoic acid
Formula
C4H8N4O4
Exact mass
176.0546
Mol weight
176.1307
Structure
Reaction
Pathway
map00230  Purine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00546  Purine degradation, xanthine => urea
Enzyme
3.5.2.5         3.5.3.4         3.5.3.9
Other DBs
CAS: 99-16-1
PubChem: 3782
ChEBI: 17536 30837
KNApSAcK: C00007470
PDB-CCD: 1AL[PDBj]
3DMET: B01270
NIKKAJI: J11.619J
KCF data

ATOM        12
            1   C1c C    26.9671  -25.7731
            2   N1b N    25.3903  -26.4757
            3   N1b N    28.4732  -26.4757
            4   C6a C    26.9671  -24.3548
            5   C5a C    24.3728  -25.7731
            6   C5a C    29.5614  -25.7731
            7   O6a O    28.1903  -23.6455
            8   O6a O    25.7439  -23.6455
            9   N1a N    23.1496  -26.4757
            10  O5a O    24.3728  -24.5669
            11  N1a N    30.7846  -26.4757
            12  O5a O    29.5614  -24.5669
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2

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