COMPOUND: C08835
Help
Entry
C08835 Compound
Name
Ponasterone A;
25-Deoxycedysterone;
2beta,3beta,14,20,22-Pentahydroxy-5beta-cholest-7-en-6-one
Formula
C27H44O6
Exact mass
464.3138
Mol weight
464.6347
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C08835 Ponasterone A
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Cholestane
C08835 Ponasterone A
BRITE hierarchy
Other DBs
CAS:
13408-56-5
PubChem:
11028
ChEBI:
28135
LIPIDMAPS:
LMST01010195
KNApSAcK:
C00003667
PDB-CCD:
P1A
[
PDBj
]
3DMET:
B02445
NIKKAJI:
J15.367B
LinkDB
All DBs
KCF data
Show
ATOM 33
1 C2y C 21.5695 -20.0962
2 C1z C 22.7549 -19.4188
3 C1y C 20.3840 -19.4071
4 C2x C 21.5695 -21.4684
5 C1z C 22.7724 -18.0523
6 C1x C 25.1258 -19.3779
7 O1a O 22.7432 -20.7910
8 C1z C 19.1926 -20.0845
9 C1x C 20.3956 -18.0349
10 C5x C 20.3723 -22.1575
11 C1y C 23.9695 -17.3807
12 C1x C 21.5929 -17.3516
13 C1a C 22.7607 -16.6741
14 C1x C 25.1432 -18.0814
15 C1y C 19.1869 -21.4627
16 C1x C 18.0072 -19.4012
17 C1a C 19.1752 -18.7064
18 O5x O 20.3663 -23.5299
19 C1d C 23.9054 -16.0026
20 C1x C 18.0072 -22.1517
21 C1y C 16.8043 -20.0845
22 C1c C 25.1608 -15.3251
23 C1a C 22.7840 -15.3136
24 O1a O 23.9695 -14.6303
25 C1y C 16.8043 -21.4627
26 O1a O 15.6189 -19.4012
27 C1b C 26.3520 -16.0142
28 O1a O 25.1549 -13.9529
29 O1a O 15.6189 -22.1517
30 C1b C 27.5374 -15.3368
31 C1c C 28.7229 -16.0202
32 C1a C 28.7229 -17.3866
33 C1a C 29.9201 -15.3368
BOND 36
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1 #Up
13 6 14 1
14 8 15 1
15 8 16 1
16 8 17 1 #Up
17 10 18 2
18 11 19 1
19 15 20 1
20 16 21 1
21 19 22 1
22 19 23 1 #Down
23 19 24 1 #Up
24 20 25 1
25 21 26 1 #Up
26 22 27 1
27 22 28 1 #Down
28 25 29 1 #Up
29 27 30 1
30 30 31 1
31 31 32 1
32 31 33 1
33 9 12 1
34 10 15 1
35 11 14 1
36 21 25 1
» Japanese version
DBGET
integrated database retrieval system