COMPOUND: C05418
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Entry
C05418 Compound
Name
Cholesterol-5beta,6beta-epoxide;
5beta,6beta-Epoxycholestan-3beta-ol;
5,6beta-Epoxy-5beta-cholestan-3beta-ol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol file
KCF file
DB search
Reaction
R01453
R04792
Enzyme
1.14.13.-
3.3.2.11
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C05418 Cholesterol-5beta,6beta-epoxide
BRITE hierarchy
Other DBs
CAS:
4025-59-6
PubChem:
7783
LIPIDMAPS:
LMST01010010
NIKKAJI:
J362.555I
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KCF data
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ATOM 29
1 C1z C 21.4955 -21.0994
2 C1z C 21.4955 -19.7343
3 C1y C 22.6857 -21.7821
4 O2x O 21.4664 -22.4064
5 C1x C 20.3228 -21.7821
6 C1y C 22.6857 -19.0518
7 C1x C 20.3228 -19.0518
8 C1a C 21.4838 -18.3633
9 C1x C 23.8640 -21.0994
10 C1y C 19.1328 -21.0994
11 C1y C 23.8700 -19.7343
12 C1x C 22.6857 -17.6807
13 C1x C 19.1328 -19.7343
14 O1a O 17.9426 -21.7878
15 C1y C 25.0600 -19.0518
16 C1x C 23.8700 -16.9982
17 C1z C 25.0600 -17.6807
18 C1x C 27.4286 -19.0518
19 C1y C 26.2502 -16.9982
20 C1a C 25.0542 -16.3155
21 C1x C 27.4286 -17.6807
22 C1c C 26.2502 -15.6330
23 C1b C 27.4636 -14.9330
24 C1a C 25.0426 -14.9330
25 C1b C 28.6712 -15.6330
26 C1b C 29.8789 -14.9389
27 C1c C 31.0865 -15.6388
28 C1a C 32.2942 -14.9389
29 C1a C 31.0865 -17.0332
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 10 14 1 #Up
14 11 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 17 19 1
19 17 20 1 #Up
20 18 21 1
21 19 22 1
22 22 23 1
23 22 24 1 #Down
24 23 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 27 29 1
29 3 4 1 #Up
30 9 11 1
31 10 13 1
32 16 17 1
33 19 21 1
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