Ketcher 04231516362D 1   1.00000     0.00000     0

 11 11  0     1  0            999 V2000
   22.1146  -13.7392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6946  -12.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6330  -13.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6330  -14.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6946  -14.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3897  -12.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0499  -11.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4246  -11.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4313  -14.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1766  -14.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1766  -13.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  1     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
  4  9  1  1     0  0
  1 11  1  0     0  0
 10  1  1  0     0  0
M  CHG  2   1   1   7  -1
M  END
> <ID>
CHEBI:85534

> <NAME>
cis-4-hydroxy-D-proline betaine

> <DEFINITION>
An amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.

> <STAR>
3

> <SYNONYM>
turicine; Cis-4-hydroxy-D-proline betaine; (+)-turicine

> <IUPAC_NAME>
(2R,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate

> <FORMULA>
C7H13NO3

> <MASS>
159.18300

> <MONOISOTOPIC_MASS>
159.08954

> <CHARGE>
0

> <SMILES>
C[N+]1(C)C[C@H](O)C[C@@H]1C([O-])=O

> <INCHI>
InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1

> <INCHIKEY>
MUNWAHDYFVYIKH-PHDIDXHHSA-N

> <CAS_REGISTRY_NUMBER>
515-24-2

> <REAXYS_REGISTRY_NUMBER>
4136403

> <CHEMIDPLUS>
515-24-2

> <PUBMED_CITATION>
17582775; 24056934

$$$$