COMPOUND: C14045
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Entry
C14045 Compound
Name
C25-Epoxy-apo-aldehyde;
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
Formula
C25H34O3
Exact mass
382.2508
Mol weight
382.53
Structure
Mol file
KCF file
DB search
Reaction
R06953
Enzyme
1.13.11.51
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0107 C40 isoprenoids (tetraterpenes)
C14045 C25-Epoxy-apo-aldehyde
BRITE hierarchy
Other DBs
PubChem:
854283
ChEBI:
34597
LIPIDMAPS:
LMPR01070294
NIKKAJI:
J39.349E
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All DBs
KCF data
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ATOM 28
1 C4a C 23.6566 -10.8287
2 C2c C 23.6565 -12.2288
3 C2b C 24.8687 -12.9288
4 C2b C 24.8686 -14.3288
5 C2b C 26.0809 -15.0289
6 C2b C 26.0807 -16.4289
7 C2c C 27.2932 -17.1290
8 C2b C 27.2930 -18.5290
9 C2b C 28.5053 -19.2291
10 C2b C 28.5052 -20.6289
11 C2c C 29.7175 -21.3291
12 C2b C 29.7199 -22.7216
13 C2b C 30.9328 -23.4213
14 C1z C 30.9298 -24.8164
15 C1z C 29.6464 -25.5836
16 C1x C 29.7133 -26.9128
17 C1y C 30.9235 -27.6151
18 C1x C 32.1372 -26.9179
19 C1z C 32.1402 -25.5187
20 C1a C 22.4448 -12.9281
21 C1a C 28.5075 -16.4281
22 C1a C 30.9329 -20.6260
23 O1a O 30.9206 -29.0111
24 C1a C 28.5024 -26.2126
25 O2x O 29.7151 -24.1136
26 C1a C 32.5176 -24.1655
27 C1a C 33.5440 -25.5186
28 O4a O 22.4437 -10.1252
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 14 19 1
20 2 20 1
21 7 21 1
22 11 22 1
23 17 23 1 #Down
24 15 24 1 #Down
25 15 25 1 #Up
26 14 25 1 #Up
27 19 26 1 #Down
28 19 27 1 #Up
29 1 28 2
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