COMPOUND: C21527
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Entry
C21527 Compound
Name
beta-Dihydromenaquinone-9;
MK-9(II-H2);
2-Methyl-3-[(2E,10E,14E,18E,22E,26E,30E,33E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,10,14,18,22,26,30,33-octaen-1-yl]naphthalene-1,4-dione
Formula
C56H82O2
Exact mass
786.6315
Mol weight
787.2491
Structure
Mol file
KCF file
DB search
Reaction
R11654
R12073
Enzyme
1.3.99.38
1.14.15.27
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR02 Quinones and hydroquinones
PR0201 Ubiquinones
C21527 beta-Dihydromenaquinone-9
BRITE hierarchy
Other DBs
PubChem:
336445165
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KCF data
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ATOM 58
1 C8x C 6.5100 -15.4700
2 C8x C 6.5100 -16.8700
3 C8x C 7.7224 -17.5700
4 C8y C 8.9349 -16.8700
5 C8y C 8.9349 -15.4700
6 C8x C 7.7224 -14.7700
7 C5x C 10.1473 -17.5700
8 C2y C 11.3597 -16.8700
9 C2y C 11.3597 -15.4700
10 C5x C 10.1473 -14.7700
11 C1a C 12.5722 -14.7700
12 O5x O 10.1473 -13.3700
13 O5x O 10.1473 -18.9700
14 C1b C 12.5722 -17.5700
15 C1a C 14.9971 -18.9697
16 C2c C 14.9971 -17.5699
17 C2b C 13.7846 -16.8700
18 C1b C 17.4219 -17.5699
19 C1b C 16.2095 -16.8699
20 C1c C 19.8468 -17.5698
21 C1b C 18.6344 -16.8698
22 C1a C 19.8468 -18.9698
23 C1b C 22.2717 -17.5698
24 C1b C 21.0593 -16.8698
25 C1a C 24.6966 -18.9698
26 C2c C 24.6966 -17.5698
27 C2b C 23.4841 -16.8698
28 C1b C 27.1214 -17.5698
29 C1b C 25.9090 -16.8698
30 C1a C 29.5463 -18.9697
31 C2c C 29.5463 -17.5698
32 C2b C 28.3339 -16.8698
33 C1a C 30.7587 -16.8698
34 C1b C 22.2717 -17.5698
35 C1a C 24.6966 -18.9698
36 C2c C 24.6966 -17.5698
37 C2b C 23.4841 -16.8698
38 C1b C 25.9090 -16.8698
39 C1b C 22.2717 -17.5698
40 C1a C 24.6966 -18.9698
41 C2c C 24.6966 -17.5698
42 C2b C 23.4841 -16.8698
43 C1b C 25.9090 -16.8698
44 C1b C 22.2717 -17.5698
45 C1a C 24.6966 -18.9698
46 C2c C 24.6966 -17.5698
47 C2b C 23.4841 -16.8698
48 C1b C 25.9090 -16.8698
49 C1b C 22.2717 -17.5698
50 C1a C 24.6966 -18.9698
51 C2c C 24.6966 -17.5698
52 C2b C 23.4841 -16.8698
53 C1b C 25.9090 -16.8698
54 C1b C 22.2717 -17.5698
55 C1a C 24.6966 -18.9698
56 C2c C 24.6966 -17.5698
57 C2b C 23.4841 -16.8698
58 C1b C 25.9090 -16.8698
BOND 59
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 9 11 1
13 10 12 2
14 7 13 2
15 8 14 1
16 15 16 1
17 16 17 2
18 14 17 1
19 18 19 1
20 16 19 1
21 20 21 1
22 18 21 1
23 20 22 1
24 20 24 1
25 30 31 1
26 31 32 2
27 28 32 1
28 31 33 1
29 23 24 1
30 25 26 1
31 26 27 2
32 23 27 1
33 26 29 1
34 29 34 1
35 35 36 1
36 36 37 2
37 34 37 1
38 36 38 1
39 38 39 1
40 40 41 1
41 41 42 2
42 39 42 1
43 41 43 1
44 43 44 1
45 45 46 1
46 46 47 2
47 44 47 1
48 46 48 1
49 48 49 1
50 50 51 1
51 51 52 2
52 49 52 1
53 51 53 1
54 53 54 1
55 55 56 1
56 56 57 2
57 54 57 1
58 56 58 1
59 58 28 1
BRACKET 1 21.8400 -18.6900 21.8400 -16.3100
1 26.6000 -16.3100 26.6000 -18.6900
1 6
ORIGINAL 1 23 25 26 27 29
REPEAT 1 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49
1 50 51 52 53 54 55 56 57 58
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