COMPOUND: C04715
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Entry
C04715 Compound
Name
Nuatigenin;
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Mol file
KCF file
DB search
Reaction
R04577
Enzyme
2.4.1.192
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
27-Carbon atoms
Furostan derivatives
C04715 Nuatigenin
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0109 Furospirostanols and derivatives
C04715 Nuatigenin
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Spirostan
C04715 Nuatigenin
BRITE hierarchy
Other DBs
CAS:
6811-35-4
PubChem:
7287
ChEBI:
15574
LIPIDMAPS:
LMST01090001
KNApSAcK:
C00003581
NIKKAJI:
J14.285I
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KCF data
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ATOM 31
1 C1a C 32.4693 -14.0058
2 C1z C 33.1546 -15.1887
3 C1b C 33.8314 -14.0058
4 O1a O 35.0311 -13.3061
5 O2x O 31.9713 -15.8725
6 C1z C 31.9713 -17.2327
7 C1x C 34.3309 -17.1627
8 C1x C 34.3309 -15.8725
9 C1y C 29.7072 -17.2385
10 O2x O 31.9725 -18.5566
11 C1y C 29.7015 -18.5508
12 C1a C 28.7777 -16.3030
13 C1y C 30.8457 -19.2192
14 C1z C 28.5630 -19.1901
15 C1x C 30.8807 -20.5256
16 C1y C 28.5456 -20.4964
17 C1x C 27.4362 -18.5217
18 C1a C 28.5573 -17.8779
19 C1y C 27.4129 -21.1473
20 C1x C 26.2920 -19.1727
21 C1y C 26.2861 -20.4847
22 C1x C 27.4129 -22.4597
23 C1z C 25.1419 -21.1299
24 C2x C 26.2687 -23.1104
25 C2y C 25.1361 -22.4480
26 C1x C 24.0034 -20.4789
27 C1a C 25.1302 -19.8234
28 C1x C 24.0034 -23.1045
29 C1x C 22.8590 -21.1299
30 C1y C 22.8590 -22.4480
31 O1a O 21.7207 -23.1045
BOND 36
1 2 1 1 #Up
2 2 3 1 #Down
3 3 4 1
4 6 5 1 #Down
5 7 8 1
6 8 2 1
7 6 9 1
8 6 10 1
9 9 11 1
10 9 12 1 #Down
11 10 13 1
12 11 14 1
13 13 15 1
14 14 16 1
15 14 17 1
16 14 18 1 #Up
17 16 19 1
18 17 20 1
19 19 21 1
20 19 22 1
21 21 23 1
22 22 24 1
23 23 25 1
24 23 26 1
25 23 27 1 #Up
26 25 28 1
27 26 29 1
28 28 30 1
29 30 31 1 #Up
30 11 13 1
31 15 16 1
32 20 21 1
33 24 25 2
34 29 30 1
35 2 5 1
36 6 7 1 #Up
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