COMPOUND: C21797
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Entry
C21797 Compound
Name
all-trans-3,4-Didehydroretinol;
Vitamin A2
Formula
C20H28O
Exact mass
284.214
Mol weight
284.4357
Structure
Mol file
KCF file
DB search
Reaction
R11952
Pathway
map00830
Retinol metabolism
Enzyme
1.14.19.53
Other DBs
CAS:
79-80-1
ChEBI:
132246
LIPIDMAPS:
LMPR01090008
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KCF data
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ATOM 21
1 C1x C 11.3965 -16.1509
2 C2x C 11.3965 -17.5492
3 C2x C 12.6551 -18.2484
4 C2y C 13.8437 -17.5492
5 C2y C 13.8437 -16.1509
6 C1z C 12.6551 -15.4518
7 C1a C 15.1022 -18.2484
8 C2b C 16.2907 -16.1509
9 C2b C 15.1022 -15.4518
10 C2c C 17.4793 -15.4518
11 C2b C 18.6679 -16.1509
12 C1a C 13.8437 -14.7526
13 C1a C 11.3965 -14.7526
14 C2b C 19.8565 -15.4518
15 C1a C 17.4793 -14.0534
16 C2b C 21.0451 -16.1509
17 C2c C 22.3037 -15.4518
18 C2b C 23.4923 -16.1509
19 C1b C 24.6808 -15.4518
20 O1a O 25.8694 -16.1509
21 C1a C 22.3037 -14.0534
BOND 21
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 8 9 2
9 5 9 1
10 8 10 1
11 10 11 2
12 6 12 1
13 6 13 1
14 11 14 1
15 10 15 1
16 14 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 1
21 17 21 1
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