 | | COMPOUND: C16388 | |
| Entry |
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| Name |
(3R,6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapentaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosa-6,9,12,15,18-pentaenoyl-CoA
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| Formula |
C45H72N7O18P3S
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| Exact mass |
1123.3867
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| Mol weight |
1124.08
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| Structure |
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| Reaction |
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| Pathway |
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| Module |
| M00861 | beta-Oxidation, peroxisome, VLCFA |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16388 (3R,6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapentaenoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 74
1 C1b C 27.9990 -20.3693
2 C1c C 26.8685 -19.7043
3 C1b C 25.6716 -20.3693
4 C1b C 24.5411 -19.7043
5 C2b C 23.4107 -20.3693
6 C2b C 22.0807 -20.3693
7 C1b C 20.9503 -19.7043
8 C2b C 19.7533 -20.3693
9 C2b C 18.4233 -20.3693
10 C1b C 17.2929 -19.7043
11 C2b C 16.0959 -20.3693
12 C2b C 14.7660 -20.3693
13 C1b C 13.5690 -19.7043
14 C2b C 12.4386 -20.3693
15 C2b C 11.1086 -20.3693
16 C1b C 9.9781 -19.7043
17 C2b C 8.7812 -20.3693
18 C2b C 7.4512 -20.3693
19 C1b C 6.3208 -19.7043
20 C1b C 5.1903 -20.3693
21 C1b C 3.9934 -19.7043
22 C1b C 2.8629 -20.3693
23 C1a C 1.7324 -19.7043
24 O1a O 26.8685 -18.3744
25 C5a C 29.1960 -19.7043
26 S2a S 30.3264 -20.3693
27 C1b C 31.4569 -19.7043
28 C1b C 32.6538 -20.3693
29 N1b N 33.7843 -19.7043
30 C5a C 34.9147 -20.3693
31 C1b C 36.1117 -19.7043
32 C1b C 37.2422 -20.3693
33 N1b N 38.3726 -19.7043
34 C5a C 39.5696 -20.3693
35 C1c C 40.7000 -19.7043
36 C1d C 41.8305 -20.3693
37 C1b C 42.9610 -19.7043
38 O2b O 44.1579 -20.3693
39 O5a O 29.1960 -18.3744
40 O5a O 34.9147 -21.6992
41 O5a O 39.5696 -21.6992
42 O1a O 40.7000 -18.3744
43 C1a C 41.8305 -19.0393
44 C1a C 41.8305 -21.6992
45 P1b P 45.4879 -20.3693
46 O1c O 46.8178 -20.3693
47 O1c O 45.4879 -21.6992
48 C1y C 39.3036 -15.6480
49 C1y C 40.6335 -15.6480
50 C1y C 41.0325 -14.3845
51 O2x O 39.9686 -13.5865
52 C1y C 38.9046 -14.3845
53 C1b C 42.2960 -13.9855
54 O1a O 38.5056 -16.7119
55 O2b O 41.4315 -16.7119
56 P1b P 42.7615 -16.7119
57 O1c O 42.7615 -15.3820
58 O1c O 44.0914 -16.7119
59 O1c O 42.7615 -18.0419
60 C8y C 34.9812 -12.6556
61 C8y C 34.9812 -13.9855
62 N4y N 37.3087 -13.9855
63 C8x C 37.3087 -12.6556
64 N5x N 36.1117 -11.9906
65 C8y C 33.8508 -11.9906
66 N5x N 32.6538 -12.6556
67 C8x C 32.6538 -13.9855
68 N5x N 33.8508 -14.6505
69 N1a N 33.8508 -10.6606
70 O2b O 44.1579 -14.3845
71 P1b P 45.4879 -14.3845
72 O1c O 45.4879 -13.0545
73 O1c O 46.8178 -14.3845
74 O2c O 45.4879 -17.4434
BOND 76
1 1 2 1
2 2 3 1
3 3 4 1
4 5 4 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 2 24 1 #Up
24 1 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 25 39 2
39 30 40 2
40 34 41 2
41 35 42 1 #Down
42 36 43 1
43 36 44 1
44 38 45 1
45 45 46 2
46 45 47 1
47 48 49 1
48 49 50 1
49 50 51 1
50 51 52 1
51 48 52 1
52 50 53 1 #Down
53 48 54 1 #Up
54 49 55 1 #Up
55 55 56 1
56 56 57 1
57 56 58 1
58 56 59 2
59 60 61 2
60 61 62 1
61 62 63 1
62 63 64 2
63 60 64 1
64 60 65 1
65 65 66 2
66 66 67 1
67 67 68 2
68 61 68 1
69 65 69 1
70 52 62 1 #Down
71 53 70 1
72 70 71 1
73 71 72 1
74 71 73 2
75 71 74 1
76 45 74 1
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