KEGG   COMPOUND: C04832Help
Entry
C04832                      Compound                               

Name
Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;
Coenzyme M-HTP heterodisulfide;
CoM-S-S-CoB;
N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine
Formula
C13H26NO10PS3
Exact mass
483.0456
Mol weight
483.515
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Methane metabolism
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Enzyme
1.8.98.1        2.8.4.1
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1b C    32.4222  -24.5035
            2   S4a S    33.7909  -24.5092
            3   C1b C    31.2971  -23.6501
            4   O1d O    33.7781  -25.9072
            5   O1d O    35.1701  -24.4976
            6   O1d O    33.8364  -23.0404
            7   S3a S    30.0649  -24.3192
            8   S3a S    28.8746  -23.5906
            9   C1c C    20.3079  -20.1812
            10  C1c C    19.0872  -19.4583
            11  N1b N    20.3545  -21.5499
            12  C6a C    21.5926  -19.6425
            13  O2b O    19.1244  -18.0547
            14  C1a C    17.7967  -20.0215
            15  C5a C    20.3732  -22.9534
            16  O6a O    22.7900  -20.3770
            17  O6a O    21.5878  -18.3030
            18  P1b P    19.1244  -16.6510
            19  C1b C    21.5869  -23.6401
            20  O5a O    19.1584  -23.6575
            21  O1c O    19.1244  -15.2531
            22  O1c O    20.5223  -16.6453
            23  O1c O    17.7138  -16.6569
            24  C1b C    22.7957  -22.9290
            25  C1b C    24.0153  -23.6225
            26  C1b C    25.2242  -22.9115
            27  C1b C    26.4378  -23.6109
            28  C1b C    27.6526  -22.8998
BOND        27
            1     2   5 2
            2     2   6 2
            3     3   7 1
            4     7   8 1
            5     1   2 1
            6     1   3 1
            7     2   4 1
            8     9  10 1
            9     9  11 1 #Up
            10    9  12 1
            11   10  13 1 #Up
            12   10  14 1
            13   11  15 1
            14   12  16 1
            15   12  17 2
            16   13  18 1
            17   15  19 1
            18   15  20 2
            19   18  21 1
            20   18  22 1
            21   18  23 2
            22   19  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28   8 1

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