KEGG   COMPOUND: C21727
Entry
C21727                      Compound                               

Name
(13E)-Labda-7,13-dien-15-yl diphosphate;
(13E)-Labda-7,13-dienyl diphosphate
Formula
C20H36O7P2
Exact mass
450.1936
Mol weight
450.4432
Structure
Reaction
Enzyme
3.1.7.10        4.2.3.192       5.5.1.30
Other DBs
PubChem: 350078304
KCF data

ATOM        29
            1   C1z C    13.6979  -15.7584
            2   C1y C    13.6917  -17.1237
            3   C1y C    14.8901  -15.0850
            4   C1x C    12.5118  -15.0789
            5   C1a C    13.7547  -14.4117
            6   C1z C    12.5118  -17.8093
            7   C1x C    14.8777  -17.8157
            8   C2y C    16.0577  -15.7707
            9   C1b C    14.8963  -13.7199
            10  C1x C    11.3319  -15.7584
            11  C1x C    11.3319  -17.1237
            12  C1a C    13.1265  -19.3268
            13  C1a C    11.9457  -19.3268
            14  C2x C    16.0577  -17.1361
            15  C1b C    16.6140  -13.0404
            16  C2c C    18.1299  -13.7384
            17  C2b C    18.1169  -15.0912
            18  C1a C    19.3098  -13.0650
            19  C1b C    19.3545  -15.7770
            20  O2b O    20.5405  -15.1160
            21  P1b P    21.8997  -15.1097
            22  O2c O    23.2649  -15.1097
            23  O1c O    21.8936  -13.7446
            24  O1c O    21.8936  -16.4750
            25  P1b P    24.6302  -15.1097
            26  O1c O    25.9954  -15.1097
            27  O1c O    24.6219  -13.7446
            28  O1c O    24.6219  -16.4750
            29  C1a C    17.2051  -15.0741
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28    8  14 2
            29   10  11 1
            30    8  29 1

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