 | | COMPOUND: C05464 | |
| Entry |
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| Name |
Glycodeoxycholate;
Glycodeoxycholic acid;
3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine
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| Formula |
C26H43NO5
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| Exact mass |
449.3141
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| Mol weight |
449.62
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C05464 Glycodeoxycholic acid
ST05 Steroid conjugates
ST0503 Glycine conjugates
C05464 Glycodeoxycholate
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| Other DBs |
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| KCF data |
ATOM 32
1 C1y C 27.2042 -19.6165
2 C1y C 26.0230 -20.2938
3 C1z C 27.2215 -18.2557
4 C1x C 29.5492 -19.5753
5 C1y C 24.8534 -19.5990
6 C1x C 26.0230 -21.6546
7 C1y C 28.4027 -17.5956
8 C1y C 26.0461 -17.5725
9 C1a C 27.2098 -17.0342
10 C1x C 29.5665 -18.2848
11 C1z C 23.6665 -20.2822
12 C1x C 24.8654 -18.2384
13 C1x C 24.8418 -22.3261
14 C1c C 28.3968 -16.2292
15 O1a O 26.0345 -16.2003
16 C1y C 23.6607 -21.6429
17 C1x C 22.4910 -19.5932
18 C1a C 23.6491 -18.9157
19 C1b C 29.5722 -15.5344
20 C1a C 27.2098 -14.9201
21 C1x C 22.4910 -22.3203
22 C1x C 21.2984 -20.2822
23 C1b C 30.7534 -16.2234
24 C1y C 21.2984 -21.6429
25 C5a C 31.9288 -15.5344
26 O1a O 20.1172 -22.3146
27 N1b N 33.1099 -16.2234
28 O5a O 31.9288 -14.1737
29 C1b C 34.2852 -15.5344
30 C6a C 35.4665 -16.2234
31 O6a O 36.6419 -15.5344
32 O6a O 35.4665 -17.5841
BOND 35
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 8 15 1 #Down
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 14 19 1
19 14 20 1 #Down
20 16 21 1
21 17 22 1
22 19 23 1
23 21 24 1
24 23 25 1
25 24 26 1 #Down
26 25 27 1
27 25 28 2
28 27 29 1
29 29 30 1
30 30 31 1
31 30 32 2
32 7 10 1
33 8 12 1
34 13 16 1
35 22 24 1
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