KEGG   COMPOUND: C18357Help
Entry
C18357                      Compound                               

Name
(R)-Hemiketal
Formula
C16H15O5SR
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 124489031
ChEBI: 81703
KCF data Show

ATOM        23
            1   C8x C    22.5252  -16.2276
            2   C8x C    22.5252  -17.6264
            3   C8x C    23.7366  -18.3259
            4   C8y C    24.9481  -17.6264
            5   C8y C    24.9481  -16.2276
            6   C8y C    23.7366  -15.5282
            7   C1x C    26.1594  -18.3259
            8   C2y C    27.3708  -17.6264
            9   C2y C    27.3708  -16.2276
            10  C5x C    26.1594  -15.5282
            11  C1x C    28.5823  -18.3259
            12  C1y C    29.7937  -17.6264
            13  O2x O    29.7937  -16.2276
            14  C1z C    28.5823  -15.5282
            15  O1a O    23.7366  -14.1296
            16  O5x O    26.1594  -14.1294
            17  C1a C    28.5823  -14.1297
            18  C1b C    31.0105  -18.3259
            19  C5a C    32.2220  -17.6264
            20  S2a S    33.4334  -18.3259
            21  O5a O    32.2220  -16.2278
            22  O1a O    29.8144  -14.8166
            23  R   R    34.8334  -18.3259
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    6  15 1
            18   10  16 2
            19   14  17 1
            20   12  18 1 #Up
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   14  22 1
            25   20  23 1

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