Ketcher 05171613582D 1   1.00000     0.00000     0

  8  8  0     0  0            999 V2000
   10.8154  -23.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6244  -22.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3154  -21.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3154  -21.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0065  -22.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5755  -22.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3186  -22.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7834  -23.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0     0  0
  2  1  1  0     0  0
  4  5  1  0     0  0
  3  2  1  0     0  0
  6  2  1  0     0  0
  3  4  1  0     0  0
  7  6  1  0     0  0
  8  6  2  0     0  0
M  CHG  1   7  -1
M  END
> <ID>
CHEBI:15893

> <NAME>
1-pyrroline-5-carboxylate

> <DEFINITION>
A 1-pyrrolinecarboxylate resulting from the removal of the proton from the carboxy group of 1-pyrroline-5-carboxylic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11689; CHEBI:11297; CHEBI:26458; CHEBI:19873; CHEBI:19095; CHEBI:29066

> <SYNONYM>
1-pyrroline-5-carboxylate

> <IUPAC_NAME>
3,4-dihydro-2H-pyrrole-2-carboxylate

> <FORMULA>
C5H6NO2

> <MASS>
112.107

> <MONOISOTOPIC_MASS>
112.04040

> <CHARGE>
-1

> <SMILES>
N1=CCCC1C([O-])=O

> <INCHI>
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/p-1

> <INCHIKEY>
DWAKNKKXGALPNW-UHFFFAOYSA-M

> <KEGG_COMPOUND_ACCESSION>
C04322

$$$$