COMPOUND: C15992
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Entry
C15992 Compound
Name
Cholesterol-5alpha,6alpha-epoxide;
5,6alpha-Epoxy-5alpha-cholestan-3beta-ol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol file
KCF file
DB search
Reaction
R01452
R07597
Enzyme
1.14.13.-
3.3.2.11
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C15992 Cholesterol-5alpha,6alpha-epoxide
BRITE hierarchy
Other DBs
CAS:
1250-95-9
PubChem:
47205305
ChEBI:
49305
LIPIDMAPS:
LMST01010011
NIKKAJI:
J869I
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All DBs
KCF data
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ATOM 29
1 C1z C 20.0255 -22.4294
2 C1z C 20.0255 -21.0643
3 C1y C 21.2157 -23.1121
4 O2x O 19.9964 -23.7364
5 C1x C 18.8528 -23.1121
6 C1y C 21.2157 -20.3818
7 C1x C 18.8528 -20.3818
8 C1a C 20.0138 -19.6933
9 C1x C 22.3940 -22.4294
10 C1y C 17.6628 -22.4294
11 C1y C 22.4000 -21.0643
12 C1x C 21.2157 -19.0107
13 C1x C 17.6628 -21.0643
14 O1a O 16.4726 -23.1178
15 C1y C 23.5900 -20.3818
16 C1x C 22.4000 -18.3282
17 C1z C 23.5900 -19.0107
18 C1x C 25.9586 -20.3818
19 C1y C 24.7802 -18.3282
20 C1a C 23.5842 -17.6455
21 C1x C 25.9586 -19.0107
22 C1c C 24.7802 -16.9630
23 C1b C 25.9936 -16.2630
24 C1a C 23.5726 -16.2630
25 C1b C 27.2012 -16.9630
26 C1b C 28.4089 -16.2689
27 C1c C 29.6165 -16.9688
28 C1a C 30.8242 -16.2689
29 C1a C 29.6165 -18.3632
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1 #Down
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 #Down
30 9 11 1
31 10 13 1
32 16 17 1
33 19 21 1
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