KEGG   COMPOUND: C20854
Entry
C20854                      Compound                               

Name
Monacolin J acid;
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-Hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Formula
C19H30O5
Exact mass
338.2093
Mol weight
338.4385
Structure
Reaction
Pathway
map00999  Biosynthesis of various secondary metabolites - part 1
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00893  Lovastatin biosynthesis, malonyl-CoA => lovastatin acid
Enzyme
Other DBs
PubChem: 254741320
PDB-CCD: MJA[PDBj]
KCF data

ATOM        24
            1   C1y C    20.3731  -18.8329
            2   C2x C    20.3731  -20.1631
            3   C2x C    19.2530  -20.8632
            4   C2y C    17.9928  -20.1631
            5   C1y C    17.9928  -18.8329
            6   C1y C    19.2530  -18.1328
            7   C2x C    16.8026  -20.8632
            8   C1y C    15.6824  -20.1631
            9   C1x C    15.6824  -18.8329
            10  C1y C    16.8026  -18.1328
            11  C1a C    14.4922  -20.8632
            12  C1a C    21.5633  -18.1328
            13  C1b C    19.2530  -16.8026
            14  C1b C    20.3731  -16.1025
            15  C1c C    20.3731  -14.7023
            16  C1b C    19.1830  -14.0022
            17  C1c C    19.1830  -12.1819
            18  O1a O    22.2634  -14.2122
            19  O1a O    17.9928  -11.4818
            20  C1b C    20.3731  -11.4818
            21  C6a C    21.5633  -12.1819
            22  O6a O    22.7535  -11.4818
            23  O6a O    21.5633  -13.3721
            24  O1a O    16.7838  -16.7301
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Down
            13    1  12 1 #Up
            14    6  13 1 #Up
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   15  18 1 #Down
            20   17  19 1 #Up
            21   17  20 1
            22   20  21 1
            23   21  22 2
            24   21  23 1
            25   10  24 1 #Down

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