LMFA05000539
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  7  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000539

> <COMMON_NAME>
3-mercaptohexan-1-ol

> <SYSTEMATIC_NAME>
3-thiohexan-1-ol

> <FORMULA>
C6H14OS

> <MASS>
134.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TYZFMFVWHZKYSE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3

> <SMILES>
CCCC(S)CCO

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040152

> <CHEBI_ID>
77690

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
521348

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$