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
map00997  Biosynthesis of various other secondary metabolites
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]
LinkDB
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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