KEGG   COMPOUND: C08412Help
Entry
C08412                      Compound                               

Name
Glucoiberverin;
3-Methylthiopropyl glucosinolate
Formula
C11H21NO9S3
Exact mass
407.0378
Mol weight
407.4807
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.8.2.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from methionine
    C08412  3-Methylthiopropyl glucosinolate
BRITE hierarchy
Other DBs
CAS: 26888-03-9
PubChem: 10608
ChEBI: 5407 79326
KNApSAcK: C00001473
NIKKAJI: J700.062F
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    21.6545  -16.6028
            2   O2x O    20.5010  -17.2705
            3   C1y C    22.8078  -17.2762
            4   S2a S    21.6368  -15.1566
            5   C1y C    20.5010  -18.5937
            6   C1y C    22.8019  -18.5996
            7   O1a O    23.9556  -16.6146
            8   C2c C    21.6485  -13.8275
            9   C1y C    21.6485  -19.2670
            10  C1b C    19.3416  -19.2847
            11  O1a O    23.9497  -19.2788
            12  N2b N    22.7962  -13.1483
            13  C1b C    20.3838  -13.1014
            14  O1a O    21.6368  -20.6020
            15  O1a O    18.1823  -18.6347
            16  O2a O    23.9439  -12.4750
            17  C1b C    19.1191  -13.8216
            18  S4a S    25.1969  -13.4176
            19  C1b C    17.8427  -13.0955
            20  O1d O    26.2743  -12.1939
            21  O1d O    24.0902  -14.5711
            22  O1d O    26.4967  -14.2315
            23  S2a S    16.6499  -13.7939
            24  C1a C    15.4201  -13.0941
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   18  21 2
            21   18  22 1
            22    6   9 1
            23   19  23 1
            24   23  24 1

» Japanese version

DBGET integrated database retrieval system