KEGG   COMPOUND: C08269
Entry
C08269                      Compound                               

Name
(-)-Betonicine;
Betonicine;
trans-4-Hydroxy-L-proline betaine
Formula
C7H13NO3
Exact mass
159.0895
Mol weight
159.183
Structure
Reaction
Enzyme
Other DBs
CAS: 515-25-3
PubChem: 10468
ChEBI: 85533
ChEMBL: CHEMBL1181451
KNApSAcK: C00001345
PDB-CCD: 0XW[PDBj]
NIKKAJI: J6.292H
KCF data

ATOM        11
            1   C1x C    16.5212  -16.0903
            2   C1y C    16.9239  -17.4260
            3   C1x C    18.3186  -17.4555
            4   C1y C    18.7777  -16.1382
            5   N2y N    17.6668  -15.2946 #+
            6   O1a O    16.0815  -18.5351
            7   C6a C    19.9695  -15.4192
            8   O6a O    21.1775  -16.1166 #-
            9   O6a O    19.9560  -14.0243
            10  C1a C    17.6278  -13.8755
            11  C1a C    16.4055  -14.6179
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Up
            7     4   7 1 #Down
            8     7   8 1
            9     7   9 2
            10    5  10 1
            11    5  11 1

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