COMPOUND: C08823
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Entry
C08823 Compound
Name
Lichesterol;
(3beta,22E)-Ergosta-5,8,22-trien-3-ol
Formula
C28H44O
Exact mass
396.3392
Mol weight
396.6484
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C08823 Lichesterol
BRITE hierarchy
Other DBs
CAS:
50657-31-3
PubChem:
11016
ChEBI:
6453
LIPIDMAPS:
LMST01031026
KNApSAcK:
C00003658
3DMET:
B02438
NIKKAJI:
J10.229F
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All DBs
KCF data
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ATOM 29
1 C1y C 28.0006 -20.9615
2 C2y C 26.8197 -21.6397
3 C1z C 28.0182 -19.5992
4 C1x C 30.3684 -20.9207
5 C2y C 25.6212 -20.9498
6 C1x C 26.8197 -23.0135
7 C1y C 29.2108 -18.9327
8 C1x C 26.8431 -18.9036
9 C1a C 28.0065 -18.2312
10 C1x C 30.3859 -19.6284
11 C1z C 24.4519 -21.6280
12 C1x C 25.6504 -19.5818
13 C2x C 25.6270 -23.6916
14 C1c C 29.1991 -17.5647
15 C2y C 24.4461 -23.0018
16 C1x C 23.2651 -20.9439
17 C1a C 24.4402 -20.2540
18 C2b C 30.3801 -16.8808
19 C1a C 28.0065 -16.8865
20 C1x C 23.2651 -23.6916
21 C1x C 22.0725 -21.6280
22 C2b C 31.5610 -17.5589
23 C1y C 22.0725 -23.0018
24 C1c C 32.7478 -16.8748
25 O1a O 20.8915 -23.6916
26 C1c C 33.9288 -17.5530
27 C1a C 32.7420 -15.5010
28 C1a C 35.1156 -16.8631
29 C1a C 33.9288 -18.9210
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
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 2
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 24 27 1 #Down
27 26 28 1
28 26 29 1
29 7 10 1
30 8 12 1
31 13 15 2
32 21 23 1
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