COMPOUND: C19892
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Entry
C19892 Compound
Name
4'-Apo-beta,psi-caroten-4'-al;
beta-Apo-4'-carotenal
Formula
C35H46O
Exact mass
482.3549
Mol weight
482.74
Structure
Mol file
KCF file
DB search
Reaction
R09782
R09783
Pathway
map00906
Carotenoid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.2.1.82
1.13.11.59
Other DBs
PubChem:
135626358
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KCF data
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ATOM 36
1 C2y C 6.7962 -15.7019
2 C1z C 5.5839 -15.0039
3 C2y C 6.7962 -17.1070
4 C2b C 7.9992 -15.0039
5 C1x C 4.3716 -15.7019
6 C1a C 6.2726 -13.7825
7 C1a C 4.8675 -13.7825
8 C1x C 5.5839 -17.8048
9 C1a C 8.0082 -17.8048
10 C2b C 9.2115 -15.7109
11 C1x C 4.3716 -17.1070
12 C2c C 10.4235 -15.0132
13 C2b C 11.6358 -15.7203
14 C1a C 10.4235 -13.6171
15 C2b C 12.8481 -15.0222
16 C2b C 14.0604 -15.7293
17 C2c C 15.2724 -15.0315
18 C2b C 16.4757 -15.7293
19 C1a C 15.2724 -13.6264
20 C2b C 17.6877 -15.0406
21 C2b C 18.9000 -15.7386
22 C2b C 20.1123 -15.0406
23 C2c C 21.3243 -15.7477
24 C2b C 22.5366 -15.0499
25 C1a C 21.3153 -17.1528
26 C2b C 23.7489 -15.7570
27 C2b C 24.9519 -15.0590
28 C2c C 26.1642 -15.7661
29 C2b C 27.3765 -15.0683
30 C1a C 26.1642 -17.1621
31 C2b C 28.5885 -15.7661
32 C2b C 29.8008 -15.0683
33 C2c C 31.0131 -15.7754
34 C4a C 32.2161 -15.0774
35 C1a C 31.0038 -17.1805
36 O4a O 33.4284 -15.7844
BOND 36
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 5 11 1
11 10 12 1
12 12 13 2
13 12 14 1
14 13 15 1
15 15 16 2
16 16 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 23 25 1
25 24 26 2
26 26 27 1
27 27 28 2
28 28 29 1
29 28 30 1
30 29 31 2
31 31 32 1
32 32 33 2
33 33 34 1
34 33 35 1
35 34 36 2
36 8 11 1
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