KEGG   COMPOUND: C00791Help
Entry
C00791                      Compound                               

Name
Creatinine;
1-Methylglycocyamidine
Formula
C4H7N3O
Exact mass
113.0589
Mol weight
113.1179
Structure
Mol fileKCF fileDB search
Remark
Same as: D03600
Reaction
Pathway
map00330  Arginine and proline metabolism
map01100  Metabolic pathways
Module
M00047  Creatine pathway
Enzyme
3.5.2.10        3.5.4.1         3.5.4.21
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D03600  [101592] Creatinine
 Buffering agent
  D03600  [101592] Creatinine
 Soothing agent
  D03600  [101592] Creatinine
BRITE hierarchy
Other DBs
CAS: 60-27-5
PubChem: 4049
ChEBI: 16737
ChEMBL: CHEMBL65567
3DMET: B00175
NIKKAJI: J1.397H
KCF data Show

ATOM        8
            1   C5x C    21.2772  -19.9464
            2   N1x N    22.6768  -19.9464
            3   C2y C    23.1093  -18.6152
            4   N1y N    21.9770  -17.7926
            5   C1x C    20.8447  -18.6152
            6   O5x O    20.4545  -21.0787
            7   N2a N    24.4286  -18.1866
            8   C1a C    21.9770  -16.3774
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     3   7 2
            8     4   8 1

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