Ketcher 03031712502D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3302   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  6  1  2  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  7  5  1  0     0  0
  8  7  1  0     0  0
  6  9  1  0     0  0
M  END
> <ID>
CHEBI:50700

> <NAME>
5-(methylsulfanyl)pentanal oxime

> <DEFINITION>
An aliphatic aldoxime resulting from the formal condensation of 5-(methylsulfanyl)pentanal with hydroxylamine.

> <STAR>
3

> <SYNONYM>
5-methylthiopentanaldoxime; 5-methylthiopentanal oxime; 5-(methylthio)pentanaldoxime; 5-(methylthio)pentanal oxime

> <IUPAC_NAME>
N-[5-(methylsulfanyl)pentylidene]hydroxylamine

> <FORMULA>
C6H13NOS

> <MASS>
147.240

> <MONOISOTOPIC_MASS>
147.07179

> <CHARGE>
0

> <SMILES>
C(CCCCSC)=NO

> <INCHI>
InChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3

> <INCHIKEY>
KNFFJJFEYQLINT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1925771

> <KEGG_COMPOUND_ACCESSION>
C17245

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