KEGG   COMPOUND: C20407Help
Entry
C20407                      Compound                               

Name
Pentalenolactone;
Arenaemycin E
Formula
C15H16O5
Exact mass
276.0998
Mol weight
276.2845
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of secondary metabolites - other antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00819  Pentalenolactone biosynthesis, farnesyl-PP => pentalenolactone
Enzyme
Other DBs
CAS: 31501-48-1
PubChem: 163312144
PDB-CCD: 7PT[PDBj]
KCF data Show

ATOM        20
            1   C1z C    17.9386  -16.0822
            2   C1y C    19.0573  -16.8838
            3   C1y C    18.3712  -14.7615
            4   C2x C    16.5602  -16.0707
            5   C2y C    20.1761  -16.0764
            6   C1y C    17.2523  -13.9485
            7   C2x C    19.7493  -14.7615
            8   C2y C    16.1278  -14.7615
            9   C6a C    21.4910  -16.5032
            10  O6a O    22.5283  -15.5683
            11  O6a O    21.7862  -17.8864
            12  C1z C    16.6706  -16.7961
            13  C7x C    16.6734  -18.1816
            14  O7x O    17.9314  -18.9831
            15  C1x C    19.0602  -18.2693
            16  C1x C    15.3258  -16.4357
            17  O6a O    15.4339  -18.8753
            18  O2x O    15.6861  -17.7804
            19  C1a C    17.2544  -12.5304
            20  C1a C    14.7733  -14.3229
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5   7 2
            10    6   8 1
            11    9  10 2
            12    9  11 1
            13    1  12 1 #Down
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    2  15 1
            18   12  16 1
            19   13  17 2
            20   16  18 1 #Up
            21   12  18 1 #Up
            22    6  19 1 #Up
            23    8  20 1

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