KEGG   COMPOUND: C10172
Entry
C10172                      Compound                               
Name
Stachydrine;
Proline betaine;
L-Proline betaine
Formula
C7H13NO2
Exact mass
143.0946
Mol weight
143.18
Structure
Reaction
Enzyme
1.14.13.247     2.1.1.388       5.1.1.22
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolidine alkaloids
    C10172  Stachydrine
Other DBs
CAS: 471-87-4
PubChem: 12358
ChEBI: 35280
KNApSAcK: C00002074
PDB-CCD: PBE[PDBj]
NIKKAJI: J5.947A
KCF data

ATOM        10
            1   C1x C    16.3725  -16.6420
            2   C1x C    16.7750  -17.9769
            3   C1x C    18.1690  -18.0063
            4   C1y C    18.6279  -16.6898
            5   N2y N    17.5175  -15.8467 #+
            6   C6a C    19.8190  -15.9712
            7   O6a O    21.0264  -16.6682 #-
            8   O6a O    19.8055  -14.5770
            9   C1a C    17.4786  -14.4283
            10  C1a C    16.2570  -15.1703
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1 #Down
            7     6   7 1
            8     6   8 2
            9     5   9 1
            10    5  10 1

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