KEGG   COMPOUND: C03431
Entry
C03431                      Compound                               

Name
S-Inosyl-L-homocysteine
Formula
C14H19N5O6S
Exact mass
385.1056
Mol weight
385.3956
Structure
Reaction
Enzyme
3.5.4.28        3.13.1.9
Other DBs
PubChem: 6258
ChEBI: 17010
ChEMBL: CHEMBL559715
PDB-CCD: SIB[PDBj]
NIKKAJI: J2.147.003A
KCF data

ATOM        26
            1   N4y N    31.6476  -15.4449
            2   C1y C    30.6775  -17.7358
            3   O2x O    29.5845  -16.9526
            4   C1y C    30.2801  -18.9747
            5   C1y C    28.5210  -17.7124
            6   C1y C    28.9417  -18.9747
            7   O1a O    31.0633  -20.0326
            8   O1a O    28.1878  -20.0443
            9   C1b C    27.2776  -17.0100
            10  S2a S    26.0651  -17.7100
            11  C1b C    24.8527  -17.0100
            12  C1b C    23.6403  -17.7100
            13  C1c C    22.4278  -17.0100
            14  C6a C    21.2154  -17.7100
            15  O6a O    20.0030  -17.0100
            16  N1a N    22.4278  -15.6103
            17  O6a O    21.2154  -19.1100
            18  C8x C    32.4631  -14.3053
            19  N5x N    31.6248  -13.1840
            20  C8y C    30.2994  -13.6348
            21  C8y C    30.3185  -15.0346
            22  C8y C    29.0775  -12.9514
            23  N5x N    27.8747  -13.6679
            24  C8x C    27.8939  -15.0678
            25  N5x N    29.1158  -15.7511
            26  O1a O    29.0584  -11.5500
BOND        28
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     6   8 1 #Down
            8     5   6 1
            9     5   9 1 #Up
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   13  16 1 #Up
            17   14  17 2
            18    1  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22    1  21 1
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   21  25 1
            28   22  26 1

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