COMPOUND: C13550
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Entry
C13550 Compound
Name
Cerebrosterol;
24-Hydroxycholesterol;
Cholest-5-ene-3,24-diol;
(24S)-24-Hydroxycholesterol;
(24S)-Cholest-5-ene-3beta,24-diol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol file
KCF file
DB search
Reaction
R07207
R07208
Pathway
map00120
Primary bile acid biosynthesis
Enzyme
1.14.14.25
1.14.14.26
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C13550 Cerebrosterol
BRITE hierarchy
Other DBs
CAS:
474-73-7
PubChem:
7846926
ChEBI:
34310
LIPIDMAPS:
LMST01010019
NIKKAJI:
J637.349F
LinkDB
All DBs
KCF data
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ATOM 29
1 C1y C 28.8018 -18.3701
2 C1y C 27.5879 -19.0705
3 C1z C 28.8018 -17.0161
4 C1x C 31.1366 -18.3701
5 C1y C 26.4205 -18.3701
6 C1x C 27.5879 -20.4247
7 C1y C 29.9692 -16.3624
8 C1x C 27.5879 -16.3624
9 C1a C 28.7552 -15.6620
10 C1x C 31.1366 -17.0161
11 C1z C 25.2533 -19.0705
12 C1x C 26.4205 -17.0161
13 C2x C 26.4205 -21.0783
14 C1c C 29.9692 -15.0082
15 C2y C 25.2533 -20.4247
16 C1x C 24.0859 -18.3701
17 C1a C 25.2533 -17.7164
18 C1b C 31.1832 -14.3078
19 C1a C 28.7552 -14.3078
20 C1x C 24.0859 -21.0783
21 C1x C 22.9185 -19.0705
22 C1b C 32.3505 -15.0082
23 C1y C 22.9185 -20.4247
24 C1c C 33.5645 -14.3078
25 O1a O 21.7046 -21.0783
26 C1c C 34.7786 -15.0082
27 C1a C 35.9459 -14.3078
28 C1a C 34.7786 -16.3624
29 O1a O 33.5645 -12.9070
BOND 32
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 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 26 27 1
27 26 28 1
28 7 10 1
29 8 12 1
30 13 15 2
31 21 23 1
32 24 29 1 #Down
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