-OEChem-01131113492D

  9  8  0     1  0  0  0  0  0999 V2000
   28.9740  -21.7180    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   28.9740  -23.1163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1911  -21.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3406  -19.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1294  -21.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5518  -23.1163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5518  -21.7180    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.7630  -21.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3406  -21.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
3881

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00606

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 1115-65-7
ChEBI: 16345
PDB-CCD: CSD
3DMET: B01293
NIKKAJI: J36.785K
Is a reactant or product of enzyme EC 1.4.1.-
Is a reactant or product of enzyme EC 1.13.11.20
Is a reactant or product of enzyme EC 2.6.1.1
Is a reactant or product of enzyme EC 4.1.1.12
Is a reactant or product of enzyme EC 4.1.1.15
Is a reactant or product of enzyme EC 4.1.1.29

> <PUBCHEM_SUBSTANCE_SYNONYM>
1115-65-7
3-Sulfino-L-alanine
3-Sulfinoalanine
3-Sulphino-L-alanine
C00606
L-Cysteinesulfinic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1115-65-7

> <PUBCHEM_XREF_EXT_ID>
C00606

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00606

> <PUBCHEM_CID_ASSOCIATIONS>
1549098  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  6  6

$$$$