COMPOUND: C16890
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Entry
C16890 Compound
Name
5alpha-Cyprinol;
(3alpha,5alpha,7alpha,12alpha)-Cholestane-3,7,12,26,27-pentol
Formula
C27H48O5
Exact mass
452.3502
Mol weight
452.667
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C16890 5alpha-Cyprinol
BRITE hierarchy
Other DBs
CAS:
2952-70-7
PubChem:
96023393
ChEBI:
50422
LIPIDMAPS:
LMST04030019
NIKKAJI:
J14.439H
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KCF data
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ATOM 32
1 C1x C 16.5200 -16.8700
2 C1y C 16.5200 -18.2700
3 C1x C 17.7324 -18.9700
4 C1y C 18.9449 -18.2700
5 C1z C 18.9449 -16.8700
6 C1x C 17.7324 -16.1700
7 C1x C 20.1573 -18.9700
8 C1y C 21.3697 -18.2700
9 C1y C 21.3697 -16.8700
10 C1y C 20.1573 -16.1700
11 C1y C 22.5822 -16.1700
12 C1z C 22.5822 -14.7700
13 C1y C 21.3697 -14.0700
14 C1x C 20.1573 -14.7700
15 C1x C 25.0070 -16.1700
16 C1x C 25.0070 -14.7700
17 C1y C 23.7946 -14.0700
18 C1a C 22.5822 -13.4400
19 C1c C 23.7946 -12.6700
20 C1b C 25.0111 -11.9677
21 C1a C 23.1462 -11.1323
22 C1b C 26.2086 -12.6593
23 C1b C 27.3950 -11.9744
24 C1c C 28.5866 -12.6627
25 C1b C 29.7760 -11.9761
26 C1b C 28.5866 -14.0697
27 O1a O 30.9661 -12.6636
28 O1a O 29.7791 -14.7584
29 O1a O 21.3697 -12.6701
30 O1a O 15.3076 -18.9700
31 O1a O 22.5673 -18.9615
32 C1a C 18.9449 -15.4700
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1
23 19 20 1
24 19 21 1 #Down
25 20 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 24 26 1
30 25 27 1
31 26 28 1
32 13 29 1 #Down
33 2 30 1 #Down
34 8 31 1 #Down
35 5 32 1 #Up
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