| Entry |
|
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| Name |
Caffeoyl-CoA;
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl-CoA
|
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| Formula |
C30H42N7O19P3S
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| Exact mass |
929.1469
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| Mol weight |
929.6763
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| Structure |
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| Reaction |
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| Pathway |
| map00945 | Stilbenoid, diarylheptanoid and gingerol biosynthesis |
| map00996 | Biosynthesis of various alkaloids |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01220 | Degradation of aromatic compounds |
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| Module |
| M00039 | Monolignol biosynthesis, phenylalanine/tyrosine => monolignol |
|
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00323 Caffeoyl-CoA
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Caffeate derivatives
C00323 Caffeoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 60
1 C2b C 16.6124 -48.0900
2 C5a C 17.8249 -47.3900
3 S2a S 19.0373 -48.0900
4 C1b C 20.2497 -47.3900
5 C1b C 21.4622 -48.0900
6 N1b N 22.6746 -47.3900
7 C5a C 23.8870 -48.0900
8 C1b C 25.0995 -47.3900
9 C1b C 26.3119 -48.0900
10 N1b N 27.5244 -47.3900
11 C5a C 28.7368 -48.0900
12 C1c C 29.9492 -47.3900
13 C1d C 31.1617 -48.0900
14 C1b C 32.3741 -47.3900
15 O2b O 33.5865 -48.0900
16 O5a O 17.8249 -45.9902
17 O5a O 23.8870 -49.4899
18 O5a O 28.7368 -49.4896
19 O1a O 29.9492 -45.9900
20 C1a C 31.1617 -46.6900
21 C1a C 31.1617 -49.4900
22 P1b P 34.9865 -48.0900
23 O1c O 36.3865 -48.0900
24 O1c O 34.9865 -49.4900
25 C1y C 28.4900 -43.1200
26 C1y C 29.8900 -43.1200
27 C1y C 30.3226 -41.7885
28 O2x O 29.1900 -40.9656
29 C1y C 28.0574 -41.7885
30 C1b C 31.6422 -41.3597
31 O1a O 27.6671 -44.2526
32 O2b O 30.7129 -44.2526
33 P1b P 32.1129 -44.2526
34 O1c O 32.1129 -42.8526
35 O1c O 33.5129 -44.2526
36 O1c O 32.1129 -45.6526
37 C8y C 23.9400 -39.9700
38 C8y C 23.9400 -41.3700
39 N4y N 26.3649 -41.3700
40 C8x C 26.3649 -39.9700
41 N5x N 25.1524 -39.2700
42 C8y C 22.7276 -39.2700
43 N5x N 21.5151 -39.9700
44 C8x C 21.5151 -41.3700
45 N5x N 22.7276 -42.0700
46 N1a N 22.7276 -37.8702
47 O2b O 33.6245 -41.7920
48 P1b P 35.0245 -41.7920
49 O1c O 35.0245 -40.3920
50 O1c O 36.4245 -41.7920
51 O2c O 35.0245 -45.0120
52 C2b C 15.3833 -47.3802
53 C8y C 14.1792 -48.0753
54 C8x C 12.9963 -47.3922
55 C8y C 11.7838 -48.0921
56 C8y C 11.7837 -49.4921
57 C8x C 12.9665 -50.1752
58 C8x C 14.1790 -49.4753
59 O1a O 10.5528 -47.3810
60 O1a O 10.5545 -50.2018
BOND 63
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 55 56 2
59 56 57 1
60 57 58 2
61 53 58 1
62 55 59 1
63 56 60 1
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