COMPOUND: C16258
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Entry
C16258 Compound
Name
Petromyzonol;
5alpha-Cholan-3alpha,7alpha,12alpha,24-tetrol
Formula
C24H42O4
Exact mass
394.3083
Mol weight
394.5879
Structure
Mol file
KCF file
DB search
Reaction
R07797
Enzyme
2.8.2.31
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C16258 Petromyzonol
BRITE hierarchy
Other DBs
PubChem:
47205566
ChEBI:
50108
LIPIDMAPS:
LMST04010301
NIKKAJI:
J2.032.403A
LinkDB
All DBs
KCF data
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ATOM 28
1 C1y C 26.5205 -22.7692
2 C1y C 27.7073 -22.0885
3 C1y C 25.3395 -22.0826
4 C1y C 26.5030 -24.1423
5 C1z C 27.7249 -20.7445
6 C1x C 30.0405 -22.1176
7 C1z C 24.1408 -22.7518
8 C1x C 25.3568 -20.7154
9 C1x C 25.3218 -24.8231
10 O1a O 27.6900 -24.9973
11 C1y C 28.9001 -20.0871
12 C1y C 26.5379 -20.0173
13 C1a C 28.0212 -19.3830
14 C1x C 30.0521 -20.7737
15 C1y C 24.1350 -24.1074
16 C1x C 22.9713 -22.0710
17 C1a C 24.1641 -21.3787
18 C1c C 28.9176 -18.7256
19 O1a O 25.0737 -19.4227
20 C1x C 22.9480 -24.7939
21 C1x C 21.7728 -22.7402
22 C1b C 30.1044 -18.0564
23 C1a C 28.0212 -17.6788
24 C1y C 21.7553 -24.1250
25 C1b C 31.2798 -18.7547
26 O1a O 20.8241 -24.9973
27 C1b C 32.4726 -18.0914
28 O1a O 33.6421 -18.7895
BOND 31
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 4 9 1
9 4 10 1 #Down
10 5 11 1
11 5 12 1
12 5 13 1 #Up
13 6 14 1
14 7 15 1
15 7 16 1
16 7 17 1 #Up
17 11 18 1
18 12 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 18 23 1 #Down
23 20 24 1
24 22 25 1
25 24 26 1 #Down
26 25 27 1
27 27 28 1
28 8 12 1
29 9 15 1
30 11 14 1
31 21 24 1
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