Entry
Name
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
Formula
C27H46O3
Exact mass
418.3447
Mol weight
418.6523
Structure
Mol file KCF file DB search
Reaction
Enzyme
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C05458 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 30
1 C1y C 24.4141 -18.5521
2 C1y C 25.6063 -17.8841
3 C1y C 23.2335 -17.8554
4 C1y C 24.4141 -19.9285
5 C1z C 25.6235 -16.5019
6 C1z C 22.0356 -18.5406
7 C1x C 23.2451 -16.4847
8 C1x C 23.2220 -20.6139
9 O1a O 25.0937 -21.1149
10 C1y C 24.4372 -15.8051
11 C1y C 22.0299 -19.9170
12 C1x C 20.8434 -17.8495
13 C1a C 22.0240 -17.1643
14 C1x C 20.8434 -20.6081
15 C1x C 19.6513 -18.5406
16 C5x C 19.6513 -19.9170
17 C1x C 28.0310 -17.8443
18 C1x C 27.9782 -16.5321
19 C1y C 26.8445 -15.8170
20 C1a C 25.6235 -15.3819
21 C1c C 26.8445 -14.4170
22 C1b C 28.0295 -13.7324
23 C1a C 25.6777 -13.1427
24 C1b C 29.2145 -14.4163
25 C1b C 30.4068 -13.7276
26 C1c C 31.5960 -14.4139
27 C1a C 32.7861 -13.7263
28 C1a C 31.5964 -15.8198
29 O1a O 24.4372 -14.4051
30 O5x O 18.4385 -20.6158
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 6 11 1
11 6 12 1
12 6 13 1 #Up
13 11 14 1
14 12 15 1
15 14 16 1
16 7 10 1
17 8 11 1
18 15 16 1
19 2 17 1
20 17 18 1
21 18 19 1
22 5 19 1
23 5 20 1 #Up
24 19 21 1
25 21 22 1
26 21 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 26 28 1
32 10 29 1 #Down
33 16 30 2