ChEBI
  Marvin  12061010072D          

 13 12  0  0  1  0            999 V2000
    8.0003   -1.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636   -1.1942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5487   -1.6058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8337   -1.1942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0971   -1.6058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7014   -1.1742    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5487   -2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337   -0.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971   -2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0246   -2.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636   -0.3492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821   -1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676   -1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
 10  1  2  0  0  0  0
  2 11  1  1  0  0  0
  3  2  1  0  0  0  0
  3  7  1  1  0  0  0
  4  3  1  0  0  0  0
  4  8  1  1  0  0  0
  5  4  1  0  0  0  0
  5  9  1  6  0  0  0
 12  5  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:33805

> <NAME>
2-amino-2-deoxy-D-gluconate

> <DEFINITION>
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 2-amino-2-deoxy-D-gluconic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11503; CHEBI:12960; CHEBI:20992; CHEBI:19444

> <IUPAC_NAME>
2-amino-2-deoxy-D-gluconate; (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate

> <FORMULA>
C6H12NO6

> <MASS>
194.16260

> <MONOISOTOPIC_MASS>
194.06701

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/p-1/t2-,3-,4-,5-/m1/s1

> <INCHIKEY>
UFYKDFXCZBTLOO-TXICZTDVSA-M

$$$$