KEGG   COMPOUND: C16593
Entry
C16593                      Compound                               

Name
7-Mercaptoheptanoic acid
Formula
C7H14O2S
Exact mass
162.0715
Mol weight
162.2499
Structure
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
Other DBs
CAS: 52000-32-5
PubChem: 51090920
ChEBI: 80591
KNApSAcK: C00000772
NIKKAJI: J659.994J
LinkDB
KCF data

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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