KEGG   COMPOUND: C02350
Entry
C02350                      Compound                               
Name
(S)-Allantoin;
(S)(+)-Allantoin
Formula
C4H6N4O3
Exact mass
158.044
Mol weight
158.1154
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         4.1.1.97        5.1.99.3
Other DBs
PubChem: 5397
ChEBI: 15678
PDB-CCD: 3AL[PDBj]
3DMET: B00428
NIKKAJI: J732.396D
LinkDB
KCF data

ATOM        11
            1   N1x N    20.6395  -22.2430
            2   C5x C    21.0527  -23.5806
            3   C1y C    22.4525  -23.6011
            4   N1x N    22.9046  -22.2761
            5   C5x C    21.7841  -21.4367
            6   O5x O    21.8049  -20.0204
            7   O5x O    20.2152  -24.6987
            8   N1b N    23.2593  -24.7463
            9   C5a C    24.6312  -24.7629
            10  O5a O    25.3406  -23.5679
            11  N1a N    25.3259  -26.0005
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     2   7 2
            8     3   8 1 #Down
            9     8   9 1
            10    9  10 2
            11    9  11 1

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