COMPOUND: C16162
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Entry
C16162 Compound
Name
(9Z,12Z,15Z)-Octadecatrienoyl-CoA;
alpha-Linolenoyl-CoA
Formula
C39H64N7O17P3S
Exact mass
1027.3292
Mol weight
1027.95
Structure
Mol file
KCF file
DB search
Reaction
R07933
R08178
R12205
Pathway
map01040
Biosynthesis of unsaturated fatty acids
map01212
Fatty acid metabolism
Enzyme
1.14.19.3
1.14.19.-
3.1.2.2
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16162 (9Z,12Z,15Z)-Octadecatrienoyl-CoA
BRITE hierarchy
Other DBs
PubChem:
47205472
ChEBI:
190939
51985
LIPIDMAPS:
LMFA07050286
NIKKAJI:
J2.798.455J
LinkDB
All DBs
KCF data
Show
ATOM 67
1 S2a S 24.5700 -25.8300
2 C1b C 25.7600 -25.1300
3 C1b C 27.0200 -25.8300
4 N1b N 28.2100 -25.1300
5 C5a C 29.4000 -25.8300
6 C1b C 30.6600 -25.1300
7 C1b C 31.8500 -25.8300
8 N1b N 33.0400 -25.1300
9 C5a C 34.3000 -25.8300
10 C1c C 35.4900 -25.1300
11 C1d C 36.6800 -25.8300
12 C1b C 37.8700 -25.1300
13 O2b O 39.1300 -25.8300
14 O5a O 29.4000 -27.2300
15 O5a O 34.3000 -27.2300
16 O1a O 35.4900 -23.7300
17 C1a C 36.6800 -24.4300
18 C1a C 36.6800 -27.2300
19 P1b P 40.5300 -25.8300
20 O1c O 41.9300 -25.8300
21 O1c O 40.5300 -27.2300
22 C1y C 34.0200 -20.8600
23 C1y C 35.4200 -20.8600
24 C1y C 35.8400 -19.5300
25 O2x O 34.7200 -18.6900
26 C1y C 33.6000 -19.5300
27 C1b C 37.1700 -19.1100
28 O1a O 33.1800 -21.9800
29 O2b O 36.2600 -21.9800
30 P1b P 37.6600 -21.9800
31 O1c O 37.6600 -20.5800
32 O1c O 39.0600 -21.9800
33 O1c O 37.6600 -23.3800
34 C8y C 29.4700 -17.7100
35 C8y C 29.4700 -19.1100
36 N4y N 31.9200 -19.1100
37 C8x C 31.9200 -17.7100
38 N5x N 30.6600 -17.0100
39 C8y C 28.2800 -17.0100
40 N5x N 27.0200 -17.7100
41 C8x C 27.0200 -19.1100
42 N5x N 28.2800 -19.8100
43 N1a N 28.2800 -15.6100
44 O2b O 39.1300 -19.5300
45 P1b P 40.5300 -19.5300
46 O1c O 40.5300 -18.1300
47 O1c O 41.9300 -19.5300
48 O2c O 40.5300 -22.7500
49 C5a C 23.4500 -25.1300
50 O5a O 23.4500 -23.8700
51 C1b C 22.2600 -25.8300
52 C1b C 21.0700 -25.1300
53 C1b C 19.8800 -25.8300
54 C1b C 18.6900 -25.1300
55 C1b C 17.4300 -25.8300
56 C1b C 16.3100 -25.1300
57 C1b C 15.1200 -25.8300
58 C2b C 13.8600 -25.1300
59 C2b C 12.4600 -25.1300
60 C1b C 11.2700 -25.8300
61 C2b C 10.0800 -25.1300
62 C2b C 8.6800 -25.1300
63 C1b C 7.4200 -25.8300
64 C2b C 6.2300 -25.1300
65 C2b C 4.9000 -25.1300
66 C1b C 3.6400 -25.8300
67 C1a C 2.4500 -25.1300
BOND 69
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 2
53 49 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 2
62 59 60 1
63 60 61 1
64 61 62 2
65 62 63 1
66 63 64 1
67 64 65 2
68 65 66 1
69 66 67 1
» Japanese version
COMPOUND: C16161
Help
Entry
C16161 Compound
Name
alpha-Linolenoyl-ACP;
alpha-Linolenoyl-[acyl-carrier protein];
(9Z,12Z,15Z)-Octadecatrienoyl-ACP;
(9Z,12Z,15Z)-Octadecatrienoyl-[acyl-carrier protein]
Formula
C18H29OSR
Structure
Mol file
KCF file
DB search
Pathway
map01040
Biosynthesis of unsaturated fatty acids
map01212
Fatty acid metabolism
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA07 Fatty esters
FA0706 Fatty acyl ACPs
C16161 (9Z,12Z,15Z)-Octadecatrienoyl-[acp]
BRITE hierarchy
Other DBs
PubChem:
47205471
ChEBI:
80358
LinkDB
All DBs
KCF data
Show
ATOM 21
1 C1b C 48.4400 -30.5900
2 C1b C 47.1800 -29.8900
3 C1b C 49.6300 -29.8900
4 C1b C 45.9900 -30.5900
5 C1b C 50.8900 -30.5900
6 C2b C 44.8000 -29.8900
7 C1b C 52.0800 -29.8900
8 C2b C 43.4000 -29.8900
9 C1b C 53.2700 -30.5900
10 C1b C 42.2100 -30.5900
11 C5a C 54.4600 -29.8900
12 C2b C 40.9500 -29.8900
13 S2a S 55.7200 -30.5900
14 O5a O 54.4600 -28.4900
15 R R 57.1200 -30.5900
16 C2b C 39.5500 -29.8900
17 C1b C 38.2900 -30.5900
18 C2b C 37.1000 -29.8900
19 C2b C 35.7000 -29.8900
20 C1b C 34.5100 -30.5900
21 C1a C 33.3200 -29.8900
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 11 14 2
14 13 15 1
15 12 16 2
16 16 17 1
17 17 18 1
18 18 19 2
19 19 20 1
20 20 21 1
» Japanese version
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