COMPOUND: C15791
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Entry
C15791 Compound
Name
Teasterone;
(3beta,5alpha,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one
Formula
C28H48O4
Exact mass
448.3553
Mol weight
448.6783
Structure
Mol file
KCF file
DB search
Reaction
R07431
R07444
R07455
R08840
Pathway
map00905
Brassinosteroid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.- 1.14.-.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C15791 Teasterone
BRITE hierarchy
Other DBs
CAS:
92751-21-8
PubChem:
47205116
ChEBI:
26863
LIPIDMAPS:
LMST01030121
NIKKAJI:
J417.942K
LinkDB
All DBs
KCF data
Show
ATOM 32
1 C1x C 25.9362 -22.9162
2 C1y C 25.9362 -24.2876
3 C1x C 27.1240 -24.9731
4 C1y C 28.3117 -24.2876
5 C1z C 28.3117 -22.9162
6 C1x C 27.1240 -22.2305
7 C5x C 29.4992 -24.9731
8 C1x C 30.6867 -24.2876
9 C1y C 30.6867 -22.9162
10 C1y C 29.4992 -22.2305
11 C1y C 31.8745 -22.2305
12 C1z C 31.8745 -20.8592
13 C1x C 30.6867 -20.1733
14 C1x C 29.4992 -20.8592
15 C1x C 34.2499 -22.2305
16 C1x C 34.2499 -20.8592
17 C1y C 33.0621 -20.1733
18 C1c C 33.0621 -18.8022
19 C1c C 34.2538 -18.1144
20 C1c C 35.4266 -18.7917
21 C1c C 36.5886 -18.1208
22 C1c C 37.7560 -18.7951
23 C1a C 37.7560 -20.1730
24 C1a C 28.3117 -21.5447
25 C1a C 31.8745 -19.4882
26 C1a C 31.8745 -18.1166
27 C1a C 38.9435 -18.1093
28 O1a O 24.7429 -24.9764
29 O5x O 29.4996 -26.3934
30 O1a O 34.2540 -16.7049
31 O1a O 35.4270 -20.2178
32 C1a C 36.5886 -16.7208
BOND 35
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 1
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 15 16 1
18 16 17 1
19 12 17 1
20 11 15 1
21 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 5 24 1 #Up
28 12 25 1 #Up
29 18 26 1 #Down
30 22 27 1
31 2 28 1 #Up
32 7 29 2
33 19 30 1 #Up
34 20 31 1 #Up
35 21 32 1 #Up
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