KEGG   COMPOUND: C00499Help
Entry
C00499                      Compound                               

Name
Allantoate;
Allantoic acid
Formula
C4H8N4O4
Exact mass
176.0546
Mol weight
176.1307
Structure
Mol fileKCF fileDB search
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
LinkDB All DBs
KCF data Show

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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