| Entry |
|
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| Name |
Deoxycholic acid;
Deoxycholate;
3alpha,12alpha-Dihydroxy-5beta-cholanate;
3alpha,12alpha-Dihydroxy-5beta-cholanic acid
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| Formula |
C24H40O4
|
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| Exact mass |
392.2927
|
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| Mol weight |
392.572
|
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| Structure |
     |
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| Comment |
This bile acid is generated from intestinal bacteria of many species.
|
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| Reaction |
|
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| Pathway |
| Secondary bile acid biosynthesis | | Bile secretion |
|
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane and derivatives
C04483 Deoxycholic acid
Lipids [BR:br08002]
ST Sterol Lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C04483 3alpha,12alpha-Dihydroxy-5beta-cholanic acid
 |
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| Other DBs |
CAS: 83-44-3 PubChem: ChEBI: LIPIDMAPS: LipidBank: KNApSAcK: PDB-CCD: 3DMET: NIKKAJI: |
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| KCF data |
ATOM 28
1 C1y C 25.8827 -22.3175
2 C1y C 27.1010 -21.6874
3 C1y C 24.6825 -21.6223
4 C1x C 25.8827 -23.7081
5 C1z C 27.1190 -20.2436
6 C1x C 29.4662 -21.7160
7 C1z C 23.4581 -22.3175
8 C1x C 24.6825 -20.2257
9 C1x C 24.6825 -24.3975
10 C1y C 28.3135 -19.5839
11 C1y C 25.8827 -19.5363
12 C1a C 27.0583 -18.9288
13 C1x C 29.4781 -20.2793
14 C1y C 23.4462 -23.6904
15 C1x C 22.2636 -21.6223
16 C1a C 23.4581 -20.9150
17 C1c C 28.2673 -17.7793
18 O1a O 25.9338 -18.2229
19 C1x C 22.2459 -24.3798
20 C1x C 20.9695 -22.3175
21 C1b C 29.5436 -17.1018
22 C1a C 27.1309 -16.7629
23 C1y C 21.0216 -23.6904
24 C1b C 30.7321 -17.8149
25 O1a O 19.7975 -24.3798
26 C6a C 31.9445 -17.1373
27 O6a O 33.1329 -17.8504
28 O6a O 31.8923 -15.7528
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 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1
17 11 18 1 #Down
18 14 19 1
19 15 20 1
20 17 21 1
21 17 22 1 #Down
22 19 23 1
23 21 24 1
24 23 25 1 #Down
25 24 26 1
26 26 27 1
27 26 28 2
28 8 11 1
29 9 14 1
30 10 13 1
31 20 23 1
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