
 CID 59066632

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.2032    0.5267    0.4843 C   0  0  0  0  0
   -0.2452   -0.7599   -0.2386 C   0  0  0  0  0
   -1.7318   -1.1244   -0.2178 C   0  0  0  0  0
   -2.3070   -1.0903    1.2245 C   0  0  0  0  0
   -3.1431   -0.1310    1.3244 O   0  0  0  0  0
   -1.9123   -1.9633    2.0255 O   0  0  0  0  0
   -2.5330   -0.1977   -1.1021 N   0  0  0  0  0
   -2.0067    0.3620   -1.7881 H   0  0  0  0  0
   -3.3223   -0.6836   -1.5327 H   0  0  0  0  0
   -2.9823    0.4255   -0.3914 H   0  0  0  0  0
   -0.3202    1.8575   -0.0438 C   0  0  0  0  0
   -0.1156    2.0035   -1.5209 C   0  0  0  0  0
   -0.8549    1.5023   -2.3643 O   0  0  0  0  0
    0.9912    2.6785   -1.8552 O   0  0  0  0  0
   -0.0467    0.4526    1.5492 H   0  0  0  0  0
    1.3002    0.5539    0.4375 H   0  0  0  0  0
    0.2994   -1.5863    0.2370 H   0  0  0  0  0
    0.1118   -0.7423   -1.2757 H   0  0  0  0  0
   -1.8747   -2.1251   -0.6453 H   0  0  0  0  0
    0.1807    2.6879    0.4683 H   0  0  0  0  0
   -1.3868    1.9833    0.1681 H   0  0  0  0  0
    1.0363    2.6865   -2.8330 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  7 10  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 22  1  0  0  0
M  CHG  2   6  -1   7   1
M  END

>  <Chemical Name>
CID 59066632

>  <PubChem CID>
59066632

>  <Formula>
C6H11NO4

>  <Molecular Weight>
161.157000

>  <IUPAC Name>
(2S)-2-azaniumyl-6-hydroxy-6-oxohexanoate

>  <XlogP>
-2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CC(C(=O)[O-])[NH3+])CC(=O)O

>  <Isomeric SMILES>
C(C[C@@H](C(=O)[O-])[NH3+])CC(=O)O

>  <InChI Std. ID>
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

>  <InChI Key>
OYIFNHCXNCRBQI-BYPYZUCNSA-N

