KEGG   COMPOUND: C08405
Entry
C08405                      Compound                               
Name
Glucocheirolin;
3-Methylsufonylpropyl glucosinolate
Formula
C11H21NO11S3
Exact mass
439.0277
Mol weight
439.4795
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from methionine
    C08405  3-Methylsufonylpropyl glucosinolate
Other DBs
CAS: 15592-36-6
PubChem: 10601
ChEBI: 5400
KNApSAcK: C00001466
NIKKAJI: J317.922B
LinkDB
KCF data

ATOM        26
            1   C1y C    21.7242  -16.5975
            2   S2a S    21.7065  -15.1599
            3   O2x O    20.5730  -17.2519
            4   C1y C    22.8694  -17.2577
            5   C2c C    21.7125  -13.8451
            6   C1y C    20.5730  -18.5783
            7   C1y C    22.8636  -18.5842
            8   O1a O    24.0031  -16.6092
            9   C1b C    20.4561  -13.1264
            10  N2b N    22.8577  -13.1672
            11  C1y C    21.7182  -19.2445
            12  C1b C    19.4276  -19.2621
            13  O1a O    23.9973  -19.2561
            14  C1b C    19.1997  -13.8393
            15  O2a O    23.9914  -12.5011
            16  O1a O    21.7065  -20.5652
            17  O1a O    18.2765  -18.6076
            18  C1b C    17.9433  -13.1206
            19  S4a S    25.2361  -13.4302
            20  S4a S    16.6754  -13.8334
            21  O1d O    26.3054  -12.2149
            22  O1d O    24.1375  -14.5756
            23  O1d O    26.5333  -14.2425
            24  C1a C    15.4190  -13.0972
            25  O1d O    17.7155  -14.8618
            26  O1d O    15.6527  -14.8618
BOND        26
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14   10  15 1
            15   11  16 1 #Down
            16   12  17 1
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 2
            21   19  22 2
            22   19  23 1
            23   20  24 1
            24   20  25 2
            25   20  26 2
            26    7  11 1

» Japanese version

DBGET integrated database retrieval system