COMPOUND: C15633
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Entry
C15633 Compound
Name
5,6-24(S),25-Diepoxycholesterol;
(24S,25)-Epoxycholesterol alpha-epoxide;
5alpha,6alpha-24S,25-Diepoxycholesterol
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C15633 5,6-24(S),25-Diepoxycholesterol
BRITE hierarchy
Other DBs
CAS:
220066-69-3
PubChem:
17396623
ChEBI:
79996
LIPIDMAPS:
LMST01010384
NIKKAJI:
J1.010.716D
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KCF data
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ATOM 30
1 C1y C 24.2590 -9.8205
2 C1z C 25.4492 -10.5076
3 C1a C 26.6393 -9.8205
4 C1a C 25.4492 -11.8818
5 C1x C 13.5481 -14.6302
6 C1y C 13.5481 -16.0044
7 C1x C 14.7382 -16.6915
8 C1z C 15.9284 -16.0044
9 C1z C 15.9284 -14.6302
10 C1x C 14.7382 -13.9431
11 C1y C 17.1184 -16.6915
12 C1x C 18.3085 -16.0044
13 C1y C 18.3085 -14.6302
14 C1y C 17.1184 -13.9431
15 C1y C 19.4987 -13.9431
16 C1z C 19.4987 -12.5689
17 C1x C 18.3085 -11.8818
18 C1x C 17.1184 -12.5689
19 C1x C 21.8788 -13.9431
20 C1x C 21.8788 -12.5689
21 C1y C 20.6887 -11.8818
22 C1c C 20.6887 -10.5076
23 C1b C 21.8788 -9.8205
24 C1b C 23.0690 -10.5076
25 O1a O 12.3581 -16.6915
26 C1a C 15.9284 -13.2560
27 C1a C 19.4987 -11.1947
28 C1a C 19.4987 -9.8205
29 O2x O 15.9284 -17.3786
30 O2x O 25.4491 -9.1334
BOND 35
1 1 2 1
2 2 3 1
3 2 4 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 5 10 1
10 8 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 9 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 14 18 1
20 19 20 1
21 20 21 1
22 16 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 6 25 1 #Up
27 9 26 1 #Up
28 16 27 1 #Up
29 22 28 1 #Down
30 15 19 1
31 8 29 1 #Down
32 11 29 1 #Down
33 1 24 1 #Down
34 1 30 1
35 2 30 1
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