COMPOUND: C22347
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Entry
C22347 Compound
Name
Bisanhydrobacterioruberin;
2,2'-Bis(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C50H72O2
Exact mass
704.5532
Mol weight
705.10
Structure
Mol file
KCF file
DB search
Reaction
R12709
R12710
R12712
Pathway
map00906
Carotenoid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.3.99.37
4.2.1.161
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0108 Polyterpenes
C22347 Bisanhydrobacterioruberin
BRITE hierarchy
Other DBs
LIPIDMAPS:
LMPR01080025
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KCF data
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ATOM 52
1 C1a C 8.9650 -16.7080
2 C1d C 10.1585 -16.0060
3 C1c C 11.4221 -16.7080
4 C2b C 12.6155 -16.0060
5 C2b C 13.8090 -16.7080
6 C2c C 15.0726 -16.0060
7 C2b C 16.2660 -16.7080
8 C2b C 17.4594 -16.0060
9 C2b C 18.7231 -16.7080
10 C2c C 19.9165 -16.0060
11 C2b C 21.0397 -16.7080
12 C2b C 22.3033 -16.0060
13 C2b C 23.4968 -16.7080
14 C2c C 24.6902 -16.0060
15 C2b C 25.8836 -16.7080
16 C2b C 27.1473 -16.0060
17 C2b C 28.3407 -16.7080
18 C2b C 29.5341 -16.0060
19 C2c C 30.7977 -16.7080
20 C2b C 31.9912 -16.0060
21 C2b C 33.1846 -16.7080
22 C2b C 34.4482 -16.0060
23 C2c C 35.6417 -16.7080
24 C2b C 36.8351 -16.0060
25 C2b C 38.0987 -16.7080
26 C2b C 39.2921 -16.0060
27 C2c C 40.4856 -16.7080
28 C2b C 41.7492 -16.0060
29 C2b C 42.9426 -16.7080
30 C1c C 44.1360 -16.0060
31 C1d C 45.3997 -16.7080
32 C1a C 46.5931 -16.0060
33 O1a O 10.1585 -14.6721
34 C1a C 15.0726 -14.6721
35 C1a C 19.9165 -14.6721
36 C1a C 24.6902 -14.6721
37 C1a C 30.7977 -18.1120
38 C1a C 35.6417 -18.1120
39 C1a C 40.4856 -18.1120
40 C1b C 11.4221 -18.1120
41 C2b C 10.1585 -18.8140
42 C2c C 10.1585 -20.2181
43 C1a C 8.9650 -20.9201
44 C1a C 11.3519 -20.9201
45 O1a O 45.3997 -18.3226
46 C1a C 8.9650 -15.3040
47 C1b C 44.1360 -14.6721
48 C2b C 45.1189 -13.6191
49 C2c C 45.1189 -12.2151
50 C1a C 46.3123 -11.5833
51 C1a C 43.8552 -11.5131
52 C1a C 46.5931 -17.4100
BOND 51
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 26 27 2
27 27 28 1
28 28 29 2
29 29 30 1
30 30 31 1
31 31 32 1
32 2 33 1
33 6 34 1
34 10 35 1
35 14 36 1
36 19 37 1
37 23 38 1
38 27 39 1
39 3 40 1 #Down
40 40 41 1
41 41 42 2
42 42 43 1
43 42 44 1
44 31 45 1
45 2 46 1
46 30 47 1 #Down
47 47 48 1
48 48 49 2
49 49 50 1
50 49 51 1
51 31 52 1
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