KEGG   COMPOUND: C16593Help
Entry
C16593                      Compound                               

Name
7-Mercaptoheptanoic acid
Formula
C7H14O2S
Exact mass
162.0715
Mol weight
162.2499
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0113 Thia fatty acids
    C16593  7-Mercaptoheptanoic acid
BRITE hierarchy
Other DBs
CAS: 52000-32-5
PubChem: 51090920
ChEBI: 80591
KNApSAcK: C00000772
NIKKAJI: J659.994J
KCF data Show

ATOM        10
            1   C1b C    33.5994  -20.5369
            2   C1b C    34.8567  -21.2354
            3   C1b C    32.4119  -21.2354
            4   S1a S    35.9045  -20.3972
            5   C1b C    31.2244  -20.5369
            6   C1b C    30.0369  -21.2354
            7   C1b C    28.7795  -20.4670
            8   C6a C    27.5920  -21.1656
            9   O6a O    26.3347  -20.4670
            10  O6a O    27.5920  -22.5626
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

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