COMPOUND: C22618
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Entry
C22618 Compound
Name
Fumagillol;
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
Formula
C16H26O4
Exact mass
282.1831
Mol weight
282.37
Structure
Mol file
KCF file
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Reaction
R13106
R13146
Pathway
map00998
Biosynthesis of various antibiotics
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00969
Fumagillin biosynthesis, farnesyl-PP => fumagillin
Enzyme
1.1.1.437
Other DBs
CAS:
108102-51-8
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KCF data
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ATOM 20
1 C1z C 12.5330 -13.5133
2 C1y C 13.7933 -14.2134
3 C1x C 13.2332 -12.3230
4 O2x O 11.8329 -12.3230
5 C1x C 11.3427 -14.2134
6 C1z C 14.9836 -13.5133
7 C1y C 13.7933 -15.6838
8 C1x C 11.3427 -15.6838
9 C1y C 16.1739 -14.2134
10 O2x O 16.1739 -12.8131
11 C1a C 14.9836 -12.1129
12 C1y C 12.5330 -16.3840
13 O2a O 14.9836 -16.3840
14 C1b C 17.4342 -13.5133
15 O1a O 12.5330 -17.7843
16 C1a C 16.1739 -15.6138
17 C2b C 18.6245 -14.2134
18 C2c C 19.8148 -13.5133
19 C1a C 21.0751 -14.2134
20 C1a C 19.8148 -12.1129
BOND 22
1 1 2 1
2 1 3 1 #Down
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 5 8 1
8 6 9 1
9 6 10 1 #Up
10 6 11 1 #Down
11 7 12 1
12 7 13 1 #Down
13 9 14 1 #Down
14 12 15 1 #Down
15 13 16 1
16 14 17 1
17 17 18 2
18 18 19 1
19 18 20 1
20 3 4 1
21 8 12 1
22 9 10 1 #Up
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