COMPOUND: C17891
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Entry
C17891 Compound
Name
Cryptogenin;
Kryptogenin;
(3beta,25R)-3,26-Dihydroxycholest-5-ene-16,22-dione
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C17891 Cryptogenin
BRITE hierarchy
Other DBs
CAS:
468-99-5
PubChem:
103061385
ChEBI:
81367
LIPIDMAPS:
LMST01010341
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KCF data
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ATOM 31
1 C1x C 17.2200 -24.0800
2 C1y C 17.2200 -25.4800
3 C1x C 18.4324 -26.1800
4 C2y C 19.6449 -25.4800
5 C1z C 19.6449 -24.0800
6 C1x C 18.4324 -23.3800
7 C2x C 20.8573 -26.1800
8 C1x C 22.0697 -25.4800
9 C1y C 22.0697 -24.0800
10 C1y C 20.8573 -23.3800
11 C1y C 23.2822 -23.3800
12 C1z C 23.2822 -21.9800
13 C1x C 22.0697 -21.2800
14 C1x C 20.8573 -21.9800
15 C1x C 25.7070 -23.3800
16 C5x C 25.7070 -21.9800
17 C1y C 24.4946 -21.2800
18 C1a C 23.2822 -20.5800
19 C1a C 19.6449 -22.6800
20 O5x O 26.9066 -21.2873
21 C1c C 24.4946 -19.8800
22 C5a C 25.7111 -19.1777
23 C1a C 23.2862 -19.1823
24 C1b C 26.9086 -19.8692
25 O5a O 25.7111 -17.7802
26 C1b C 28.0949 -19.1843
27 C1c C 29.2867 -19.8726
28 C1b C 30.4759 -19.1861
29 O1a O 31.6662 -19.8735
30 C1a C 29.2867 -21.2726
31 O1a O 16.0076 -26.1800
BOND 34
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 2
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 5 19 1 #Up
23 16 20 2
24 17 21 1
25 21 22 1
26 21 23 1 #Down
27 22 24 1
28 22 25 2
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 27 30 1 #Down
34 2 31 1 #Up
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