COMPOUND: C17735
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Entry
C17735 Compound
Name
7-Oxatyphasterol;
(22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one
Formula
C28H48O5
Exact mass
464.3502
Mol weight
464.68
Structure
Mol file
KCF file
DB search
Reaction
R08841
R08842
R10683
Pathway
map00905
Brassinosteroid biosynthesis
Enzyme
1.14.14.180
1.14.-.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0114 Brassinolides and derivatives
C17735 7-Oxatyphasterol
BRITE hierarchy
Other DBs
PubChem:
96024065
ChEBI:
185407
LIPIDMAPS:
LMST01140003
NIKKAJI:
J491.112A
LinkDB
All DBs
KCF data
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ATOM 33
1 C1x C 19.1800 -18.4100
2 C1y C 19.1800 -19.8100
3 C1x C 20.4400 -20.5100
4 C1y C 21.6300 -19.8100
5 C1z C 21.6300 -18.4100
6 C1x C 20.4400 -17.7800
7 O1a O 17.9900 -20.5100
8 C1y C 22.8200 -17.7100
9 C1y C 24.0100 -18.4100
10 C7x C 22.3300 -20.7900
11 C1x C 24.4300 -19.5300
12 O7x O 23.8000 -20.7900
13 C1y C 25.2700 -17.7100
14 C1z C 25.2700 -16.3800
15 C1x C 24.0100 -15.6800
16 C1x C 22.8200 -16.3800
17 C1a C 21.6300 -17.0800
18 O6a O 22.3300 -22.1900
19 C1x C 27.6500 -17.7100
20 C1x C 27.6500 -16.3800
21 C1y C 26.4600 -15.6800
22 C1a C 25.2700 -14.9800
23 C1c C 26.4600 -14.2800
24 C1c C 27.5800 -13.5800
25 C1c C 28.7700 -14.2800
26 C1c C 29.9600 -13.6500
27 C1c C 31.1500 -14.2800
28 C1a C 32.2700 -13.6500
29 C1a C 31.1500 -15.6800
30 C1a C 25.2700 -13.5800
31 O1a O 27.5800 -12.2500
32 C1a C 29.9600 -12.2500
33 O1a O 28.7700 -15.6800
BOND 36
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 2 7 1 #Down
8 5 8 1
9 8 9 1
10 4 10 1
11 9 11 1
12 11 12 1
13 12 10 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 8 16 1
19 5 17 1 #Up
20 10 18 2
21 13 19 1
22 19 20 1
23 20 21 1
24 14 21 1
25 14 22 1 #Up
26 21 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 1
33 23 30 1 #Down
34 24 31 1 #Up
35 26 32 1 #Up
36 25 33 1 #Up
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