COMPOUND: C05425
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Entry
C05425 Compound
Name
3beta,5alpha,6beta-Cholestanetriol;
Cholestane-3beta-5alpha,6beta-triol
Formula
C27H48O3
Exact mass
420.3603
Mol weight
420.67
Structure
Mol file
KCF file
DB search
Reaction
R04792
R07597
Enzyme
3.3.2.11
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C05425 3beta,5alpha,6beta-Cholestanetriol
BRITE hierarchy
Other DBs
CAS:
1253-84-5
PubChem:
7789
ChEBI:
28082
LIPIDMAPS:
LMST01010052
NIKKAJI:
J40.579E
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All DBs
KCF data
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ATOM 30
1 C1y C 22.6802 -18.6082
2 C1y C 23.8642 -19.2907
3 C1z C 21.4905 -19.2907
4 C1x C 22.6802 -17.2434
5 C1y C 25.0482 -18.6082
6 C1x C 23.8526 -20.6612
7 C1z C 21.4905 -20.6612
8 C1x C 20.3122 -18.6082
9 C1a C 21.4788 -17.9259
10 C1x C 23.8642 -16.5551
11 C1z C 25.0482 -17.2434
12 C1x C 27.4162 -18.6082
13 C1y C 22.6802 -21.3437
14 C1x C 20.3122 -21.3437
15 O1a O 21.4555 -21.9619
16 C1x C 19.1225 -19.2907
17 C1y C 26.2381 -16.5551
18 C1a C 25.0425 -15.8728
19 C1x C 27.4162 -17.2434
20 O1a O 22.6802 -22.7376
21 C1y C 19.1225 -20.6612
22 C1c C 26.2381 -15.1905
23 O1a O 17.9326 -21.3437
24 C1b C 27.4512 -14.4964
25 C1a C 25.0308 -14.4906
26 C1b C 28.6585 -15.1905
27 C1b C 29.8659 -14.4964
28 C1c C 31.0732 -15.1963
29 C1a C 32.2863 -14.5023
30 C1a C 31.0732 -16.5902
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 1 #Down
15 8 16 1
16 11 17 1
17 11 18 1 #Up
18 12 19 1
19 13 20 1 #Up
20 14 21 1
21 17 22 1
22 21 23 1 #Up
23 22 24 1
24 22 25 1 #Down
25 24 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 28 30 1
30 7 13 1
31 10 11 1
32 16 21 1
33 17 19 1
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