KEGG   COMPOUND: C17230Help
Entry
C17230                      Compound                               

Name
2-(7'-Methylthio)heptylmalic acid;
2-(7'-Methylthio)heptylmalate
Formula
C12H22O5S
Exact mass
278.1188
Mol weight
278.3651
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.3.3.17        4.2.1.170
Other DBs
PubChem: 96023638
ChEBI: 80975
KNApSAcK: C00007650
NIKKAJI: J2.806.128E
LinkDB All DBs
KCF data Show

ATOM        18
            1   C1b C    25.1087  -18.5861
            2   C1b C    26.3275  -17.8823
            3   C1b C    27.5466  -18.5861
            4   C1d C    28.7654  -17.8823
            5   C1b C    29.9843  -18.5861
            6   C1b C    23.8898  -17.8823
            7   C1b C    22.6879  -18.5764
            8   C1b C    21.4927  -17.8863
            9   C1b C    20.2959  -18.5773
            10  S2a S    19.0999  -17.8868
            11  C1a C    17.9037  -18.5776
            12  C6a C    31.1640  -17.9055
            13  O6a O    32.3718  -18.6035
            14  O6a O    31.1643  -16.5201
            15  C6a C    28.7653  -16.4500
            16  O6a O    27.5563  -15.7522
            17  O6a O    29.9812  -15.7478
            18  O1a O    27.5530  -17.1823
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    5  12 1
            12   12  13 1
            13   12  14 2
            14    4  15 1
            15   15  16 1
            16   15  17 2
            17    4  18 1

» Japanese version

DBGET integrated database retrieval system