Ketcher 05121709462D 1   1.00000     0.00000     0

 16 15  0     1  0            999 V2000
    1.4434    1.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -0.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -1.2222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7528    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887   -1.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6189   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4848    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3509   -0.2222    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2169    0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434   -1.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  4  5  1  1     0  0
  4  6  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
  9 10  1  0     0  0
  5 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  5 16  1  0     0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:134671

> <NAME>
N,N-dihydroxy-L-pentahomomethioninate

> <DEFINITION>
An N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-pentahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N,N-dihydroxy-L-pentahomomethionine

> <IUPAC_NAME>
(2S)-2-(dihydroxyamino)-9-(methylsulfanyl)nonanoate

> <FORMULA>
C10H20NO4S

> <MASS>
250.337

> <MONOISOTOPIC_MASS>
250.11185

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C10H21NO4S/c1-16-8-6-4-2-3-5-7-9(10(12)13)11(14)15/h9,14-15H,2-8H2,1H3,(H,12,13)/p-1/t9-/m0/s1

> <INCHIKEY>
RIBOHFDQFNREER-VIFPVBQESA-M

> <METACYC_ACCESSION>
CPD-14040

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