
 L-Cysteinesulfinic acid

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.9645    0.7685   -0.4303 C   0  0  0  0  0
    0.7016    1.1067    1.0364 C   0  0  0  0  0
    0.6029    2.6265    1.2423 C   0  0  0  0  0
    1.1364    3.4999    0.5798 O   0  0  0  0  0
   -0.1558    2.9637    2.3119 O   0  0  0  0  0
   -0.5623    0.4563    1.4904 N   0  0  0  0  0
    2.6737    1.2085   -0.9114 S   0  0  0  0  0
    3.6089    0.2813   -0.1987 O   0  0  0  0  0
    2.5274    0.5896   -2.3846 O   0  0  0  0  0
    0.8508   -0.3076   -0.6053 H   0  0  0  0  0
    0.2815    1.3064   -1.0970 H   0  0  0  0  0
    1.5134    0.7434    1.6767 H   0  0  0  0  0
   -0.1009    3.9428    2.3429 H   0  0  0  0  0
   -1.3426    0.8284    0.9477 H   0  0  0  0  0
   -0.7377    0.7857    2.4453 H   0  0  0  0  0
    3.2812   -0.0380   -2.4973 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 13  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 16  1  0  0  0
M  END

>  <Chemical Name>
L-Cysteinesulfinic acid

>  <PubChem CID>
1549098

>  <Formula>
C3H7NO4S

>  <Molecular Weight>
153.152000

>  <IUPAC Name>
(2R)-2-amino-3-sulfinopropanoic acid

>  <XlogP>
-4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C(C(C(=O)O)N)S(=O)O

>  <Isomeric SMILES>
C([C@@H](C(=O)O)N)S(=O)O

>  <InChI Std. ID>
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1

>  <InChI Key>
ADVPTQAUNPRNPO-REOHCLBHSA-N

