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Showing metabocard for Dynorphin A (HMDB0012935)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Detected and Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2009-07-25 00:10:09 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-14 15:43:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0012935 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Dynorphin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Dynorphin A is an endogenous opioid peptide that produces non-opioid receptor-mediated neural excitation.Dynorphin induces calcium influx via voltage-sensitive calcium channels in sensory neurons by activating bradykinin receptors. This action of dynorphin at bradykinin receptors is distinct from the primary signaling pathway activated by bradykinin and underlies the hyperalgesia produced by pharmacological administration of dynorphin by the spinal route in rats and mice. Blockade of spinal B1 or B2 receptor also reverses persistent neuropathic pain but only when there is sustained elevation of endogenous spinal dynorphin, which is required for maintenance of neuropathic pain. These data reveal a mechanism for endogenous dynorphin to promote pain through its agonist action at bradykinin receptors and suggest new avenues for therapeutic intervention. Dynorphin A is a form of dynorphin.Dynorphins are a class of opioid peptides that arise from the precursor protein prodynorphin. When prodynorphin is cleaved during processing by proprotein convertase 2 (PC2), multiple active peptides are released: dynorphin A, dynorphin B, and a/b-neo-endorphin. Depolarization of a neuron containing prodynorphin stimulates PC2 processing, which occurs within synaptic vesicles in the presynaptic terminal. Occasionally, prodynorphin is not fully processed, leading to the release of "big dynorphin."This 32-amino acid molecule consists of both dynorphin A and dynorphin B.Dynorphin A, dynorphin B, and big dynorphin all contain a high proportion of basic amino acid residues, in particular lysine and arginine (29.4%, 23.1%, and 31.2% basic residues, respectively), as well as many hydrophobic residues (41.2%, 30.8%, and 34.4% hydrophobic residues, respectively). Although dynorphins are found widely distributed in the CNS, they have the highest concentrations in the hypothalamus, medulla, pons, midbrain, and spinal cord. Dynorphins are stored in large (80-120 nm diameter) dense-core vesicles that are considerably larger than vesicles storing neurotransmitters. These large dense-core vesicles differ from small synaptic vesicles in that a more intense and prolonged stimulus is needed to cause the large vesicles to release their contents into the synaptic cleft. Dense-core vesicle storage is characteristic of opioid peptides storage. The first clues to the functionality of dynorphins came from Goldstein et al. in their work with opioid peptides. The group discovered an endogenous opioid peptide in the porcine pituitary that proved difficult to isolate. By sequencing the first 13 amino acids of the peptide, they created a synthetic version of the peptide with a similar potency to the natural peptide. Goldstein et al. applied the synthetic peptide to the guinea ileum longitudinal muscle and found it to be an extraordinarily potent opioid peptide. The peptide was called dynorphin (from the Greek dynamis=power) to describe its potency. Dynorphins exert their effects primarily through the κ-opioid receptor (KOR), a G-protein-coupled receptor. Two subtypes of KORs have been identified: K1 and K2. Although KOR is the primary receptor for all dynorphins, the peptides do have some affinity for the μ-opioid receptor (MOR), d-opioid receptor (DOR), N-methyl-D-aspartic acid (NMDA)-type glutamate receptor. Different dynorphins show different receptor selectivities and potencies at receptors. Big dynorphin and dynorphin A have the same selectivity for human KOR, but dynorphin A is more selective for KOR over MOR and DOR than is big dynorphin. Big dynorphin is more potent at KORs than is dynorphin A. Both big dynorphin and dynorphin A are more potent and more selective than dynorphin B (Wikipedia ). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0012935 (Dynorphin A)
Mrv1652303102016472D
105107 0 0 1 0 999 V2000
20.0496 -14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4291 -13.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6480 -13.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4873 -14.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0275 -13.3529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2463 -13.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.6259 -13.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7865 -12.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8447 -13.3402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.2242 -12.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4432 -13.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8227 -12.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0415 -12.7837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4211 -12.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5817 -11.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6399 -12.5054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.6841 -14.1494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.9030 -14.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2825 -13.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7423 -15.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.3628 -15.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2022 -16.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8227 -17.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6620 -17.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.2825 -18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1218 -19.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.0636 -18.2082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9612 -15.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3407 -14.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5013 -14.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5596 -15.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9391 -14.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0997 -13.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4793 -13.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8809 -13.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3989 -16.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6178 -16.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4572 -17.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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10.5375 -14.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7563 -14.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1359 -14.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2965 -13.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0777 -13.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6982 -13.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2162 -16.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0556 -16.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2744 -17.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6761 -17.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5154 -18.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1359 -18.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9170 -18.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9753 -19.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1941 -19.7884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0335 -20.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2523 -20.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6539 -21.1414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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10.4933 -21.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1138 -22.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9532 -23.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5737 -23.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3548 -23.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9753 -24.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5154 -22.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8949 -22.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1881 -12.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5677 -11.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9692 -12.2782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.1299 -11.4690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.5095 -10.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6701 -10.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0496 -9.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2102 -8.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.5898 -8.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8086 -8.4848 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
17.7505 -7.4102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.9111 -11.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0717 -10.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5315 -11.7473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4564 -12.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2144 -12.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7582 -12.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3362 -11.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.6615 -10.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1676 -10.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.4807 -10.7095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.8062 -9.9514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.6254 -9.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9508 -9.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7701 -8.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.0954 -8.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.9147 -8.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.3123 -9.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4930 -9.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.6377 -8.5324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.1438 -7.8715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.4692 -7.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9753 -6.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3007 -5.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1561 -6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3246 -7.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8307 -7.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9991 -8.7269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 3 1 6 0 0 0
5 6 1 0 0 0 0
5 68 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 6 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 1 0 0 0
20 28 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 6 0 0 0
31 36 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
39 47 1 6 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
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44 45 2 0 0 0 0
45 46 1 0 0 0 0
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48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 1 6 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
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71 72 1 0 0 0 0
71 79 1 6 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
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75 76 1 0 0 0 0
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79 80 2 0 0 0 0
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81 85 1 0 0 0 0
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83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 6 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 6 0 0 0
89 95 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
95 96 2 0 0 0 0
95 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98103 1 6 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
103104 2 0 0 0 0
103105 1 0 0 0 0
M CHG 1 77 1
M END
3D MOL for HMDB0012935 (Dynorphin A)HMDB0012935
RDKit 3D
Dynorphin A
221223 0 0 0 0 0 0 0 0999 V2000
5.8613 1.3327 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3557 0.1074 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 0.3633 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3905 1.4273 2.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 -0.9636 1.6796 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5251 -1.9330 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -1.7487 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6983 -0.6018 -1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9336 -2.8420 -1.6692 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8112 -3.7290 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5504 -2.9565 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5013 -3.7850 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7742 -5.0117 -0.7753 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6647 -6.0242 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4570 -7.2298 -0.7182 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7679 -5.7246 0.4778 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4017 -2.3091 -2.8726 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -2.9620 -3.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2489 -4.1598 -3.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1742 -2.2140 -5.0355 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7625 -2.5807 -6.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2129 -2.4395 -6.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1122 -3.2742 -5.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 -4.7029 -5.8149 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6996 -5.6287 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1072 -6.6621 -4.5272 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0895 -5.4634 -4.9183 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -2.2567 -5.1706 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0095 -1.0778 -4.8387 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2765 -0.1082 -4.4203 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4938 -0.8482 -4.9373 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3014 -1.7931 -4.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7786 -1.6516 -4.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3836 -2.7846 -3.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3600 -0.3954 -3.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6554 0.5664 -4.4791 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 1.5509 -5.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 1.1016 -6.3577 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9772 2.9773 -5.0962 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5058 3.7142 -3.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9364 3.7009 -3.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7369 4.5254 -4.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0840 4.5829 -4.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6748 3.8556 -3.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8858 3.0612 -2.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5070 2.9903 -2.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 3.3741 -5.2774 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 4.5788 -5.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7352 5.6213 -5.7396 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4432 4.7894 -5.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1718 3.5572 -5.7073 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6035 3.5030 -5.7721 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 4.5816 -5.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2866 2.1686 -5.7824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7107 2.2424 -5.8454 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5126 2.7866 -4.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0077 3.2156 -3.7643 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0032 2.8608 -4.9697 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2596 3.5677 -6.2637 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6118 1.4915 -5.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3925 0.5764 -3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3035 -0.2738 -4.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1016 -1.1695 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9505 -1.2149 -1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7333 -2.1030 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0359 -0.3710 -1.8528 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2429 0.5128 -2.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4978 -0.9985 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5681 -1.8379 2.1856 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 -0.2793 3.7045 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8718 -0.5914 4.3004 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3817 0.3895 5.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1202 1.7580 4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9307 1.9501 3.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 1.4263 2.4380 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1987 1.9958 1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 2.9699 1.9600 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 1.5838 0.1867 N 0 0 0 0 0 4 0 0 0 0 0 0
1.0209 -1.9687 4.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -2.4108 5.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0624 -2.7746 5.3080 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0231 -4.0704 5.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8488 1.6966 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.2663 -0.7179 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2969 0.8069 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2633 2.0064 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7350 1.0174 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5830 2.1945 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6009 -1.2787 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.7716 -5.9843 -5.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4814 -4.8063 -4.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.6293 5.3059 -6.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8532 5.4534 -4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7377 2.5985 -5.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 1.5096 -4.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 1.6888 -6.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2083 1.8651 -6.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4897 3.4179 -4.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2787 3.7761 -6.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0748 2.8321 -6.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 1.0014 -6.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6999 1.6216 -5.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.0971 1.2121 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 0.4128 4.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1706 -0.6888 3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0693 0.4336 6.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.0952 2.2342 4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 3
14 16 1 0
9 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 3
25 27 1 0
20 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
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32 33 1 0
33 34 1 0
33 35 1 0
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42 43 1 0
43 44 2 0
44 45 1 0
45 46 2 0
39 47 1 0
47 48 1 0
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50 51 1 0
51 52 1 0
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52 54 1 0
54 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
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62 63 1 0
63 64 2 0
64 65 1 0
64 66 1 0
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5 68 1 0
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68 70 1 0
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72 73 1 0
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86 88 1 0
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89 90 1 0
90 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
89 95 1 0
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95 97 1 0
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100101 1 0
100102 1 0
98103 1 0
103104 1 0
103105 2 0
46 41 1 0
67 61 1 0
85 81 1 0
1106 1 0
1107 1 0
1108 1 0
2109 1 0
2110 1 0
3111 1 0
4112 1 0
4113 1 0
4114 1 0
5115 1 1
6116 1 0
9117 1 6
10118 1 0
10119 1 0
11120 1 0
11121 1 0
12122 1 0
12123 1 0
13124 1 0
15125 1 0
16126 1 0
16127 1 0
17128 1 0
20129 1 1
21130 1 0
21131 1 0
22132 1 0
22133 1 0
23134 1 0
23135 1 0
24136 1 0
26137 1 0
27138 1 0
27139 1 0
28140 1 0
31141 1 6
32142 1 0
32143 1 0
33144 1 0
34145 1 0
34146 1 0
34147 1 0
35148 1 0
35149 1 0
35150 1 0
36151 1 0
39152 1 6
40153 1 0
40154 1 0
42155 1 0
43156 1 0
44157 1 0
45158 1 0
46159 1 0
47160 1 0
50161 1 0
50162 1 0
51163 1 0
54164 1 0
54165 1 0
55166 1 0
58167 1 1
59168 1 0
59169 1 0
60170 1 0
60171 1 0
62172 1 0
63173 1 0
65174 1 0
66175 1 0
67176 1 0
70177 1 0
71178 1 6
72179 1 0
72180 1 0
73181 1 0
73182 1 0
74183 1 0
74184 1 0
75185 1 0
77186 1 0
78187 1 0
78188 1 0
78189 1 0
82190 1 0
82191 1 0
83192 1 0
83193 1 0
84194 1 0
84195 1 0
85196 1 6
88197 1 0
89198 1 1
90199 1 0
90200 1 0
91201 1 0
91202 1 0
92203 1 0
92204 1 0
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97209 1 0
98210 1 1
99211 1 0
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100213 1 0
101214 1 0
101215 1 0
101216 1 0
102217 1 0
102218 1 0
102219 1 0
104220 1 0
104221 1 0
M CHG 1 78 1
M END
3D SDF for HMDB0012935 (Dynorphin A)
Mrv1652303102016472D
105107 0 0 1 0 999 V2000
20.0496 -14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4291 -13.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6480 -13.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4873 -14.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0275 -13.3529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2463 -13.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.6259 -13.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7865 -12.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8447 -13.3402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.2242 -12.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4432 -13.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8227 -12.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0415 -12.7837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4211 -12.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5817 -11.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6399 -12.5054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.6841 -14.1494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.9030 -14.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2825 -13.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7423 -15.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.3628 -15.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2022 -16.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8227 -17.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6620 -17.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.2825 -18.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1218 -19.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.0636 -18.2082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9612 -15.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3407 -14.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5013 -14.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5596 -15.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9391 -14.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0997 -13.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4793 -13.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8809 -13.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3989 -16.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6178 -16.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4572 -17.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9973 -15.7423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1580 -14.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5375 -14.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7563 -14.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1359 -14.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2965 -13.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0777 -13.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6982 -13.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2162 -16.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0556 -16.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2744 -17.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6761 -17.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5154 -18.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1359 -18.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9170 -18.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9753 -19.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1941 -19.7884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0335 -20.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2523 -20.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6539 -21.1414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4351 -20.8759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4933 -21.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1138 -22.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9532 -23.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5737 -23.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3548 -23.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9753 -24.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5154 -22.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8949 -22.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1881 -12.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5677 -11.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9692 -12.2782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.1299 -11.4690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.5095 -10.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6701 -10.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0496 -9.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2102 -8.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.5898 -8.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8086 -8.4848 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
17.7505 -7.4102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.9111 -11.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0717 -10.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5315 -11.7473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4564 -12.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2144 -12.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7582 -12.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3362 -11.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.6615 -10.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1676 -10.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.4807 -10.7095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.8062 -9.9514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.6254 -9.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9508 -9.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7701 -8.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.0954 -8.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.9147 -8.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.3123 -9.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4930 -9.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.6377 -8.5324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.1438 -7.8715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.4692 -7.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9753 -6.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3007 -5.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1561 -6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3246 -7.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8307 -7.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9991 -8.7269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 3 1 6 0 0 0
5 6 1 0 0 0 0
5 68 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 6 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 1 0 0 0
20 28 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 6 0 0 0
31 36 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
39 47 1 6 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 46 2 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 1 6 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 67 2 0 0 0 0
62 63 2 0 0 0 0
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64 65 1 0 0 0 0
64 66 2 0 0 0 0
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68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 79 1 6 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 2 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
81 85 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 6 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 6 0 0 0
89 95 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
95 96 2 0 0 0 0
95 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98103 1 6 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
103104 2 0 0 0 0
103105 1 0 0 0 0
M CHG 1 77 1
M END
> <DATABASE_ID>
HMDB0012935
> <DATABASE_NAME>
hmdb
> <SMILES>
CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
> <INCHI_IDENTIFIER>
InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1
> <INCHI_KEY>
ZIHYAUCIMOSJIH-QGLXRRFISA-O
> <FORMULA>
C69H116N23O13
> <MOLECULAR_WEIGHT>
1475.8056
> <EXACT_MASS>
1474.912295913
> <JCHEM_ACCEPTOR_COUNT>
23
> <JCHEM_ATOM_COUNT>
221
> <JCHEM_AVERAGE_POLARIZABILITY>
159.40602525389286
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
23
> <JCHEM_FORMAL_CHARGE>
1
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-{2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-[(azaniumylmethanimidoyl)amino]pentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-methylbutyl]hexanamide
> <ALOGPS_LOGP>
-0.62
> <JCHEM_LOGP>
-4.900620949338314
> <ALOGPS_LOGS>
-4.94
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.428348253548974
> <JCHEM_PKA_STRONGEST_BASIC>
12.367575803189721
> <JCHEM_POLAR_SURFACE_AREA>
613.9899999999999
> <JCHEM_REFRACTIVITY>
432.33730000000014
> <JCHEM_ROTATABLE_BOND_COUNT>
48
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.73e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-{2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-[(ammoniomethanimidoyl)amino]pentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-methylbutyl]hexanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0012935 (Dynorphin A)HMDB0012935
RDKit 3D
Dynorphin A
221223 0 0 0 0 0 0 0 0999 V2000
5.8613 1.3327 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3557 0.1074 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 0.3633 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3905 1.4273 2.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 -0.9636 1.6796 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5251 -1.9330 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -1.7487 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6983 -0.6018 -1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9336 -2.8420 -1.6692 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8112 -3.7290 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5504 -2.9565 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5013 -3.7850 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6647 -6.0242 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4570 -7.2298 -0.7182 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7679 -5.7246 0.4778 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4017 -2.3091 -2.8726 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -2.9620 -3.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2489 -4.1598 -3.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1742 -2.2140 -5.0355 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7625 -2.5807 -6.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2129 -2.4395 -6.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1122 -3.2742 -5.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 -4.7029 -5.8149 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6996 -5.6287 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1072 -6.6621 -4.5272 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0895 -5.4634 -4.9183 N 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3014 -1.7931 -4.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7786 -1.6516 -4.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3836 -2.7846 -3.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3600 -0.3954 -3.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6554 0.5664 -4.4791 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 1.5509 -5.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 1.1016 -6.3577 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9364 3.7009 -3.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7369 4.5254 -4.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0840 4.5829 -4.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6748 3.8556 -3.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8858 3.0612 -2.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5070 2.9903 -2.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7352 5.6213 -5.7396 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4432 4.7894 -5.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1718 3.5572 -5.7073 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6035 3.5030 -5.7721 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 4.5816 -5.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2866 2.1686 -5.7824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7107 2.2424 -5.8454 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5126 2.7866 -4.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0077 3.2156 -3.7643 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0032 2.8608 -4.9697 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2596 3.5677 -6.2637 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6118 1.4915 -5.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3925 0.5764 -3.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3035 -0.2738 -4.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1016 -1.1695 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9505 -1.2149 -1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7333 -2.1030 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0359 -0.3710 -1.8528 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2429 0.5128 -2.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4978 -0.9985 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5681 -1.8379 2.1856 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 -0.2793 3.7045 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8718 -0.5914 4.3004 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3817 0.3895 5.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1202 1.7580 4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9307 1.9501 3.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 1.4263 2.4380 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1987 1.9958 1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 2.9699 1.9600 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 1.5838 0.1867 N 0 0 0 0 0 4 0 0 0 0 0 0
1.0209 -1.9687 4.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -2.4108 5.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0624 -2.7746 5.3080 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0231 -4.0704 5.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 -4.7773 5.5014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -3.7804 4.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -2.4527 5.1278 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1876 -2.1597 6.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 -2.7394 7.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1858 -1.1569 6.2955 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9983 -0.7043 7.3731 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4940 0.3610 8.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1790 1.6973 7.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5703 2.5607 8.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3025 1.9912 9.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3106 1.8255 8.3135 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3850 -0.5606 6.9291 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2363 -1.4307 7.2340 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7394 0.5685 6.1409 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1007 0.8266 5.6966 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1119 2.0633 4.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6242 3.3158 5.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3502 3.8098 6.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5130 4.4502 4.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4332 -0.3673 4.8141 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6993 -0.4789 4.1886 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5651 -1.2466 4.6548 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1131 2.1546 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0496 1.0541 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8488 1.6966 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1150 -0.1266 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2663 -0.7179 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2969 0.8069 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2633 2.0064 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7350 1.0174 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5830 2.1945 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6009 -1.2787 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8335 -2.9469 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5711 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -3.8995 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7546 -4.6830 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -2.7667 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6740 -2.0099 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6108 -1.2692 -3.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3946 -1.1410 -4.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 -3.6998 -6.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 -2.0896 -7.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5477 -1.3580 -6.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5119 -2.5638 -7.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1831 -3.0804 -5.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1702 -3.0488 -4.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1900 -5.0524 -6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6652 -7.3588 -3.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7716 -5.9843 -5.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4814 -4.8063 -4.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8957 -2.8070 -2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7377 2.5985 -5.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 1.5096 -4.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 1.6888 -6.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2083 1.8651 -6.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.0748 2.8321 -6.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 1.0014 -6.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6999 1.6216 -5.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.0971 1.2121 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 0.4128 4.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1706 -0.6888 3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0693 0.4336 6.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.0952 2.2342 4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.0925 -4.0698 7.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0661 -3.8380 4.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -3.9284 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6063 -1.6690 4.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3598 -0.6754 5.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 -1.6376 8.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5835 -0.0125 8.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 0.5650 9.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 1.6319 6.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1165 2.2623 7.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 2.6480 9.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3999 3.5671 8.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9089 2.7606 10.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 1.0982 9.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2042 0.8119 8.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5774 2.2606 8.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0238 1.2398 5.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8212 0.7410 6.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2085 2.2453 4.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6579 1.8810 3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5669 3.1144 5.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9898 4.8768 6.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0193 3.2755 7.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4337 3.8762 6.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5339 4.7922 4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9837 4.0947 3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9302 5.2776 4.9225 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8039 -0.6261 3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5876 -0.4158 4.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 3
14 16 1 0
9 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 3
25 27 1 0
20 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
31 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 2 0
42 43 1 0
43 44 2 0
44 45 1 0
45 46 2 0
39 47 1 0
47 48 1 0
48 49 2 0
48 50 1 0
50 51 1 0
51 52 1 0
52 53 2 0
52 54 1 0
54 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
58 59 1 0
58 60 1 0
60 61 1 0
61 62 2 0
62 63 1 0
63 64 2 0
64 65 1 0
64 66 1 0
66 67 2 0
5 68 1 0
68 69 2 0
68 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 2 3
76 78 1 0
71 79 1 0
79 80 2 0
79 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
89 95 1 0
95 96 2 0
95 97 1 0
97 98 1 0
98 99 1 0
99100 1 0
100101 1 0
100102 1 0
98103 1 0
103104 1 0
103105 2 0
46 41 1 0
67 61 1 0
85 81 1 0
1106 1 0
1107 1 0
1108 1 0
2109 1 0
2110 1 0
3111 1 0
4112 1 0
4113 1 0
4114 1 0
5115 1 1
6116 1 0
9117 1 6
10118 1 0
10119 1 0
11120 1 0
11121 1 0
12122 1 0
12123 1 0
13124 1 0
15125 1 0
16126 1 0
16127 1 0
17128 1 0
20129 1 1
21130 1 0
21131 1 0
22132 1 0
22133 1 0
23134 1 0
23135 1 0
24136 1 0
26137 1 0
27138 1 0
27139 1 0
28140 1 0
31141 1 6
32142 1 0
32143 1 0
33144 1 0
34145 1 0
34146 1 0
34147 1 0
35148 1 0
35149 1 0
35150 1 0
36151 1 0
39152 1 6
40153 1 0
40154 1 0
42155 1 0
43156 1 0
44157 1 0
45158 1 0
46159 1 0
47160 1 0
50161 1 0
50162 1 0
51163 1 0
54164 1 0
54165 1 0
55166 1 0
58167 1 1
59168 1 0
59169 1 0
60170 1 0
60171 1 0
62172 1 0
63173 1 0
65174 1 0
66175 1 0
67176 1 0
70177 1 0
71178 1 6
72179 1 0
72180 1 0
73181 1 0
73182 1 0
74183 1 0
74184 1 0
75185 1 0
77186 1 0
78187 1 0
78188 1 0
78189 1 0
82190 1 0
82191 1 0
83192 1 0
83193 1 0
84194 1 0
84195 1 0
85196 1 6
88197 1 0
89198 1 1
90199 1 0
90200 1 0
91201 1 0
91202 1 0
92203 1 0
92204 1 0
93205 1 0
93206 1 0
94207 1 0
94208 1 0
97209 1 0
98210 1 1
99211 1 0
99212 1 0
100213 1 0
101214 1 0
101215 1 0
101216 1 0
102217 1 0
102218 1 0
102219 1 0
104220 1 0
104221 1 0
M CHG 1 78 1
M END
PDB for HMDB0012935 (Dynorphin A)HEADER PROTEIN 10-MAR-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-MAR-20 0 HETATM 1 C UNK 0 37.426 -26.460 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 36.268 -25.445 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 34.810 -25.941 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 34.510 -27.451 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 33.651 -24.925 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 32.193 -25.421 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 31.035 -24.406 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 31.335 -22.895 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 29.577 -24.902 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 28.419 -23.887 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 26.961 -24.382 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 25.802 -23.367 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 24.344 -23.863 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 23.186 -22.848 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 23.486 -21.337 0.000 0.00 0.00 N+0 HETATM 16 N UNK 0 21.728 -23.343 0.000 0.00 0.00 N+0 HETATM 17 N UNK 0 29.277 -26.412 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 27.819 -26.908 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 26.661 -25.893 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 27.519 -28.418 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 28.677 -29.433 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 28.377 -30.944 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 29.536 -31.959 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 29.236 -33.469 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 30.394 -34.484 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 30.094 -35.995 0.000 0.00 0.00 N+0 HETATM 27 N UNK 0 31.852 -33.989 0.000 0.00 0.00 N+0 HETATM 28 N UNK 0 26.061 -28.914 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 24.903 -27.899 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 25.202 -26.388 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 23.445 -28.394 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 22.286 -27.380 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 22.586 -25.869 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 21.428 -24.854 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 24.044 -25.373 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 23.145 -29.905 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 21.687 -30.401 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 21.387 -31.911 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 20.528 -29.386 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 20.828 -27.875 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 19.670 -26.860 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 18.212 -27.356 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 17.054 -26.341 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 17.353 -24.830 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 18.812 -24.335 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 19.970 -25.350 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 19.070 -29.881 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 18.770 -31.392 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 17.312 -31.887 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 19.929 -32.407 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 19.629 -33.917 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 20.787 -34.932 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 22.245 -34.437 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 20.487 -36.443 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 19.029 -36.938 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 18.729 -38.449 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 17.271 -38.944 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 19.887 -39.464 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 21.346 -38.968 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 19.587 -40.974 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 20.746 -41.989 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 20.446 -43.500 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 21.604 -44.515 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 23.062 -44.019 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 24.221 -45.034 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 23.362 -42.509 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 22.204 -41.494 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 33.951 -23.415 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 32.793 -22.400 0.000 0.00 0.00 O+0 HETATM 70 N UNK 0 35.409 -22.919 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 35.709 -21.409 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 34.551 -20.394 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 34.851 -18.883 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 33.693 -17.868 0.000 0.00 0.00 C+0 HETATM 75 N UNK 0 33.992 -16.358 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 32.834 -15.343 0.000 0.00 0.00 C+0 HETATM 77 N UNK 0 31.376 -15.838 0.000 0.00 0.00 N+1 HETATM 78 N UNK 0 33.134 -13.832 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 37.167 -20.913 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 37.467 -19.403 0.000 0.00 0.00 O+0 HETATM 81 N UNK 0 38.325 -21.928 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 38.185 -23.462 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 39.600 -24.069 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 40.615 -22.911 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 39.828 -21.588 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 40.435 -20.173 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 39.513 -18.939 0.000 0.00 0.00 O+0 HETATM 88 N UNK 0 41.964 -19.991 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 42.572 -18.576 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 44.101 -18.394 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 44.708 -16.979 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 46.238 -16.797 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 46.845 -15.382 0.000 0.00 0.00 C+0 HETATM 94 N UNK 0 48.374 -15.201 0.000 0.00 0.00 N+0 HETATM 95 C UNK 0 41.650 -17.342 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 40.120 -17.524 0.000 0.00 0.00 O+0 HETATM 97 N UNK 0 42.257 -15.927 0.000 0.00 0.00 N+0 HETATM 98 C UNK 0 41.335 -14.693 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 41.943 -13.278 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 41.021 -12.045 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 41.628 -10.630 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 39.491 -12.226 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 39.806 -14.875 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 38.884 -13.641 0.000 0.00 0.00 O+0 HETATM 105 N UNK 0 39.198 -16.290 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 68 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 17 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 CONECT 17 9 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 28 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 CONECT 28 20 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 36 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 31 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 47 CONECT 40 39 41 CONECT 41 40 42 46 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 41 45 CONECT 47 39 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 60 CONECT 59 58 CONECT 60 58 61 CONECT 61 60 62 67 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 67 CONECT 67 61 66 CONECT 68 5 69 70 CONECT 69 68 CONECT 70 68 71 CONECT 71 70 72 79 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 CONECT 79 71 80 81 CONECT 80 79 CONECT 81 79 82 85 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 81 84 86 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 89 CONECT 89 88 90 95 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 CONECT 93 92 94 CONECT 94 93 CONECT 95 89 96 97 CONECT 96 95 CONECT 97 95 98 CONECT 98 97 99 103 CONECT 99 98 100 CONECT 100 99 101 102 CONECT 101 100 CONECT 102 100 CONECT 103 98 104 105 CONECT 104 103 CONECT 105 103 MASTER 0 0 0 0 0 0 0 0 105 0 214 0 END 3D PDB for HMDB0012935 (Dynorphin A)COMPND HMDB0012935 HETATM 1 C1 UNL 1 5.861 1.333 -0.365 1.00 0.00 C HETATM 2 C2 UNL 1 5.356 0.107 0.328 1.00 0.00 C HETATM 3 C3 UNL 1 4.044 0.363 1.091 1.00 0.00 C HETATM 4 C4 UNL 1 4.390 1.427 2.113 1.00 0.00 C HETATM 5 C5 UNL 1 3.675 -0.964 1.680 1.00 0.00 C HETATM 6 N1 UNL 1 3.525 -1.933 0.598 1.00 0.00 N HETATM 7 C6 UNL 1 3.058 -1.749 -0.688 1.00 0.00 C HETATM 8 O1 UNL 1 2.698 -0.602 -1.094 1.00 0.00 O HETATM 9 C7 UNL 1 2.934 -2.842 -1.669 1.00 0.00 C HETATM 10 C8 UNL 1 1.811 -3.729 -0.973 1.00 0.00 C HETATM 11 C9 UNL 1 0.550 -2.956 -0.826 1.00 0.00 C HETATM 12 C10 UNL 1 -0.501 -3.785 -0.070 1.00 0.00 C HETATM 13 N2 UNL 1 -0.774 -5.012 -0.775 1.00 0.00 N HETATM 14 C11 UNL 1 -1.665 -6.024 -0.347 1.00 0.00 C HETATM 15 N3 UNL 1 -1.457 -7.230 -0.718 1.00 0.00 N HETATM 16 N4 UNL 1 -2.768 -5.725 0.478 1.00 0.00 N HETATM 17 N5 UNL 1 2.402 -2.309 -2.873 1.00 0.00 N HETATM 18 C12 UNL 1 1.613 -2.962 -3.853 1.00 0.00 C HETATM 19 O2 UNL 1 1.249 -4.160 -3.762 1.00 0.00 O HETATM 20 C13 UNL 1 1.174 -2.214 -5.035 1.00 0.00 C HETATM 21 C14 UNL 1 1.763 -2.581 -6.337 1.00 0.00 C HETATM 22 C15 UNL 1 3.213 -2.440 -6.472 1.00 0.00 C HETATM 23 C16 UNL 1 4.112 -3.274 -5.626 1.00 0.00 C HETATM 24 N6 UNL 1 3.900 -4.703 -5.815 1.00 0.00 N HETATM 25 C17 UNL 1 4.700 -5.629 -5.074 1.00 0.00 C HETATM 26 N7 UNL 1 4.107 -6.662 -4.527 1.00 0.00 N HETATM 27 N8 UNL 1 6.090 -5.463 -4.918 1.00 0.00 N HETATM 28 N9 UNL 1 -0.330 -2.257 -5.171 1.00 0.00 N HETATM 29 C18 UNL 1 -1.010 -1.078 -4.839 1.00 0.00 C HETATM 30 O3 UNL 1 -0.276 -0.108 -4.420 1.00 0.00 O HETATM 31 C19 UNL 1 -2.494 -0.848 -4.937 1.00 0.00 C HETATM 32 C20 UNL 1 -3.301 -1.793 -4.198 1.00 0.00 C HETATM 33 C21 UNL 1 -4.779 -1.652 -4.268 1.00 0.00 C HETATM 34 C22 UNL 1 -5.384 -2.785 -3.417 1.00 0.00 C HETATM 35 C23 UNL 1 -5.360 -0.395 -3.689 1.00 0.00 C HETATM 36 N10 UNL 1 -2.655 0.566 -4.479 1.00 0.00 N HETATM 37 C24 UNL 1 -2.076 1.551 -5.261 1.00 0.00 C HETATM 38 O4 UNL 1 -1.475 1.102 -6.358 1.00 0.00 O HETATM 39 C25 UNL 1 -1.977 2.977 -5.096 1.00 0.00 C HETATM 40 C26 UNL 1 -2.506 3.714 -3.950 1.00 0.00 C HETATM 41 C27 UNL 1 -3.936 3.701 -3.684 1.00 0.00 C HETATM 42 C28 UNL 1 -4.737 4.525 -4.482 1.00 0.00 C HETATM 43 C29 UNL 1 -6.084 4.583 -4.219 1.00 0.00 C HETATM 44 C30 UNL 1 -6.675 3.856 -3.196 1.00 0.00 C HETATM 45 C31 UNL 1 -5.886 3.061 -2.431 1.00 0.00 C HETATM 46 C32 UNL 1 -4.507 2.990 -2.685 1.00 0.00 C HETATM 47 N11 UNL 1 -0.551 3.374 -5.277 1.00 0.00 N HETATM 48 C33 UNL 1 -0.010 4.579 -5.582 1.00 0.00 C HETATM 49 O5 UNL 1 -0.735 5.621 -5.740 1.00 0.00 O HETATM 50 C34 UNL 1 1.443 4.789 -5.748 1.00 0.00 C HETATM 51 N12 UNL 1 2.172 3.557 -5.707 1.00 0.00 N HETATM 52 C35 UNL 1 3.604 3.503 -5.772 1.00 0.00 C HETATM 53 O6 UNL 1 4.231 4.582 -5.826 1.00 0.00 O HETATM 54 C36 UNL 1 4.287 2.169 -5.782 1.00 0.00 C HETATM 55 N13 UNL 1 5.711 2.242 -5.845 1.00 0.00 N HETATM 56 C37 UNL 1 6.513 2.787 -4.816 1.00 0.00 C HETATM 57 O7 UNL 1 6.008 3.216 -3.764 1.00 0.00 O HETATM 58 C38 UNL 1 8.003 2.861 -4.970 1.00 0.00 C HETATM 59 N14 UNL 1 8.260 3.568 -6.264 1.00 0.00 N HETATM 60 C39 UNL 1 8.612 1.491 -5.109 1.00 0.00 C HETATM 61 C40 UNL 1 8.393 0.576 -3.981 1.00 0.00 C HETATM 62 C41 UNL 1 7.304 -0.274 -4.040 1.00 0.00 C HETATM 63 C42 UNL 1 7.102 -1.169 -2.986 1.00 0.00 C HETATM 64 C43 UNL 1 7.951 -1.215 -1.916 1.00 0.00 C HETATM 65 O8 UNL 1 7.733 -2.103 -0.887 1.00 0.00 O HETATM 66 C44 UNL 1 9.036 -0.371 -1.853 1.00 0.00 C HETATM 67 C45 UNL 1 9.243 0.513 -2.883 1.00 0.00 C HETATM 68 C46 UNL 1 2.498 -0.999 2.539 1.00 0.00 C HETATM 69 O9 UNL 1 1.568 -1.838 2.186 1.00 0.00 O HETATM 70 N15 UNL 1 2.183 -0.279 3.704 1.00 0.00 N HETATM 71 C47 UNL 1 0.872 -0.591 4.300 1.00 0.00 C HETATM 72 C48 UNL 1 0.382 0.389 5.265 1.00 0.00 C HETATM 73 C49 UNL 1 0.120 1.758 4.766 1.00 0.00 C HETATM 74 C50 UNL 1 -0.931 1.950 3.744 1.00 0.00 C HETATM 75 N16 UNL 1 -0.744 1.426 2.438 1.00 0.00 N HETATM 76 C51 UNL 1 0.199 1.996 1.517 1.00 0.00 C HETATM 77 N17 UNL 1 0.925 2.970 1.960 1.00 0.00 N HETATM 78 N18 UNL 1 0.371 1.584 0.187 1.00 0.00 N1+ HETATM 79 C52 UNL 1 1.021 -1.969 4.910 1.00 0.00 C HETATM 80 O10 UNL 1 2.175 -2.411 5.062 1.00 0.00 O HETATM 81 N19 UNL 1 -0.062 -2.775 5.308 1.00 0.00 N HETATM 82 C53 UNL 1 0.023 -4.070 5.909 1.00 0.00 C HETATM 83 C54 UNL 1 -1.277 -4.777 5.501 1.00 0.00 C HETATM 84 C55 UNL 1 -1.979 -3.780 4.570 1.00 0.00 C HETATM 85 C56 UNL 1 -1.439 -2.453 5.128 1.00 0.00 C HETATM 86 C57 UNL 1 -2.188 -2.160 6.379 1.00 0.00 C HETATM 87 O11 UNL 1 -1.960 -2.739 7.441 1.00 0.00 O HETATM 88 N20 UNL 1 -3.186 -1.157 6.296 1.00 0.00 N HETATM 89 C58 UNL 1 -3.998 -0.704 7.373 1.00 0.00 C HETATM 90 C59 UNL 1 -3.494 0.361 8.251 1.00 0.00 C HETATM 91 C60 UNL 1 -3.179 1.697 7.687 1.00 0.00 C HETATM 92 C61 UNL 1 -2.570 2.561 8.807 1.00 0.00 C HETATM 93 C62 UNL 1 -1.302 1.991 9.357 1.00 0.00 C HETATM 94 N21 UNL 1 -0.311 1.826 8.314 1.00 0.00 N HETATM 95 C63 UNL 1 -5.385 -0.561 6.929 1.00 0.00 C HETATM 96 O12 UNL 1 -6.236 -1.431 7.234 1.00 0.00 O HETATM 97 N22 UNL 1 -5.739 0.568 6.141 1.00 0.00 N HETATM 98 C64 UNL 1 -7.101 0.827 5.697 1.00 0.00 C HETATM 99 C65 UNL 1 -7.112 2.063 4.858 1.00 0.00 C HETATM 100 C66 UNL 1 -6.624 3.316 5.483 1.00 0.00 C HETATM 101 C67 UNL 1 -7.350 3.810 6.676 1.00 0.00 C HETATM 102 C68 UNL 1 -6.513 4.450 4.462 1.00 0.00 C HETATM 103 C69 UNL 1 -7.433 -0.367 4.814 1.00 0.00 C HETATM 104 N23 UNL 1 -8.699 -0.479 4.189 1.00 0.00 N HETATM 105 O13 UNL 1 -6.565 -1.247 4.655 1.00 0.00 O HETATM 106 H1 UNL 1 5.113 2.155 -0.429 1.00 0.00 H HETATM 107 H2 UNL 1 6.050 1.054 -1.439 1.00 0.00 H HETATM 108 H3 UNL 1 6.849 1.697 -0.008 1.00 0.00 H HETATM 109 H4 UNL 1 6.115 -0.127 1.138 1.00 0.00 H HETATM 110 H5 UNL 1 5.266 -0.718 -0.376 1.00 0.00 H HETATM 111 H6 UNL 1 3.297 0.807 0.421 1.00 0.00 H HETATM 112 H7 UNL 1 5.263 2.006 1.696 1.00 0.00 H HETATM 113 H8 UNL 1 4.735 1.017 3.059 1.00 0.00 H HETATM 114 H9 UNL 1 3.583 2.195 2.175 1.00 0.00 H HETATM 115 H10 UNL 1 4.601 -1.279 2.244 1.00 0.00 H HETATM 116 H11 UNL 1 3.834 -2.947 0.830 1.00 0.00 H HETATM 117 H12 UNL 1 3.732 -3.571 -1.749 1.00 0.00 H HETATM 118 H13 UNL 1 2.242 -3.899 0.037 1.00 0.00 H HETATM 119 H14 UNL 1 1.755 -4.683 -1.488 1.00 0.00 H HETATM 120 H15 UNL 1 0.072 -2.767 -1.836 1.00 0.00 H HETATM 121 H16 UNL 1 0.674 -2.010 -0.287 1.00 0.00 H HETATM 122 H17 UNL 1 -0.143 -3.953 0.976 1.00 0.00 H HETATM 123 H18 UNL 1 -1.455 -3.218 0.030 1.00 0.00 H HETATM 124 H19 UNL 1 -0.264 -5.170 -1.686 1.00 0.00 H HETATM 125 H20 UNL 1 -2.022 -8.057 -0.480 1.00 0.00 H HETATM 126 H21 UNL 1 -2.729 -5.182 1.364 1.00 0.00 H HETATM 127 H22 UNL 1 -3.715 -6.077 0.180 1.00 0.00 H HETATM 128 H23 UNL 1 2.611 -1.269 -3.100 1.00 0.00 H HETATM 129 H24 UNL 1 1.395 -1.141 -4.846 1.00 0.00 H HETATM 130 H25 UNL 1 1.539 -3.700 -6.471 1.00 0.00 H HETATM 131 H26 UNL 1 1.193 -2.090 -7.176 1.00 0.00 H HETATM 132 H27 UNL 1 3.548 -1.358 -6.269 1.00 0.00 H HETATM 133 H28 UNL 1 3.512 -2.564 -7.555 1.00 0.00 H HETATM 134 H29 UNL 1 5.183 -3.080 -5.989 1.00 0.00 H HETATM 135 H30 UNL 1 4.170 -3.049 -4.566 1.00 0.00 H HETATM 136 H31 UNL 1 3.190 -5.052 -6.470 1.00 0.00 H HETATM 137 H32 UNL 1 4.665 -7.359 -3.978 1.00 0.00 H HETATM 138 H33 UNL 1 6.772 -5.984 -5.510 1.00 0.00 H HETATM 139 H34 UNL 1 6.481 -4.806 -4.201 1.00 0.00 H HETATM 140 H35 UNL 1 -0.703 -3.152 -5.490 1.00 0.00 H HETATM 141 H36 UNL 1 -2.669 -0.830 -6.025 1.00 0.00 H HETATM 142 H37 UNL 1 -3.020 -2.875 -4.384 1.00 0.00 H HETATM 143 H38 UNL 1 -3.040 -1.689 -3.086 1.00 0.00 H HETATM 144 H39 UNL 1 -5.112 -1.740 -5.314 1.00 0.00 H HETATM 145 H40 UNL 1 -4.896 -2.807 -2.427 1.00 0.00 H HETATM 146 H41 UNL 1 -6.474 -2.642 -3.283 1.00 0.00 H HETATM 147 H42 UNL 1 -5.217 -3.716 -3.991 1.00 0.00 H HETATM 148 H43 UNL 1 -5.022 -0.192 -2.665 1.00 0.00 H HETATM 149 H44 UNL 1 -5.335 0.451 -4.367 1.00 0.00 H HETATM 150 H45 UNL 1 -6.476 -0.622 -3.565 1.00 0.00 H HETATM 151 H46 UNL 1 -3.155 0.721 -3.617 1.00 0.00 H HETATM 152 H47 UNL 1 -2.448 3.532 -6.008 1.00 0.00 H HETATM 153 H48 UNL 1 -2.229 4.819 -4.084 1.00 0.00 H HETATM 154 H49 UNL 1 -1.942 3.455 -3.004 1.00 0.00 H HETATM 155 H50 UNL 1 -4.291 5.107 -5.302 1.00 0.00 H HETATM 156 H51 UNL 1 -6.740 5.207 -4.815 1.00 0.00 H HETATM 157 H52 UNL 1 -7.751 3.948 -3.035 1.00 0.00 H HETATM 158 H53 UNL 1 -6.274 2.466 -1.612 1.00 0.00 H HETATM 159 H54 UNL 1 -3.913 2.351 -2.051 1.00 0.00 H HETATM 160 H55 UNL 1 0.072 2.532 -5.114 1.00 0.00 H HETATM 161 H56 UNL 1 1.629 5.306 -6.718 1.00 0.00 H HETATM 162 H57 UNL 1 1.853 5.453 -4.934 1.00 0.00 H HETATM 163 H58 UNL 1 1.738 2.598 -5.644 1.00 0.00 H HETATM 164 H59 UNL 1 3.906 1.510 -4.982 1.00 0.00 H HETATM 165 H60 UNL 1 3.924 1.689 -6.745 1.00 0.00 H HETATM 166 H61 UNL 1 6.208 1.865 -6.713 1.00 0.00 H HETATM 167 H62 UNL 1 8.490 3.418 -4.187 1.00 0.00 H HETATM 168 H63 UNL 1 9.279 3.776 -6.333 1.00 0.00 H HETATM 169 H64 UNL 1 8.075 2.832 -6.983 1.00 0.00 H HETATM 170 H65 UNL 1 8.202 1.001 -6.041 1.00 0.00 H HETATM 171 H66 UNL 1 9.700 1.622 -5.293 1.00 0.00 H HETATM 172 H67 UNL 1 6.604 -0.278 -4.856 1.00 0.00 H HETATM 173 H68 UNL 1 6.236 -1.825 -3.088 1.00 0.00 H HETATM 174 H69 UNL 1 8.327 -2.174 -0.088 1.00 0.00 H HETATM 175 H70 UNL 1 9.686 -0.421 -1.013 1.00 0.00 H HETATM 176 H71 UNL 1 10.097 1.212 -2.884 1.00 0.00 H HETATM 177 H72 UNL 1 2.762 0.413 4.153 1.00 0.00 H HETATM 178 H73 UNL 1 0.171 -0.689 3.434 1.00 0.00 H HETATM 179 H74 UNL 1 1.069 0.434 6.185 1.00 0.00 H HETATM 180 H75 UNL 1 -0.591 0.007 5.685 1.00 0.00 H HETATM 181 H76 UNL 1 -0.190 2.387 5.661 1.00 0.00 H HETATM 182 H77 UNL 1 1.095 2.234 4.463 1.00 0.00 H HETATM 183 H78 UNL 1 -1.073 3.070 3.627 1.00 0.00 H HETATM 184 H79 UNL 1 -1.926 1.615 4.168 1.00 0.00 H HETATM 185 H80 UNL 1 -1.295 0.618 2.105 1.00 0.00 H HETATM 186 H81 UNL 1 1.638 3.480 1.430 1.00 0.00 H HETATM 187 H82 UNL 1 1.294 1.862 -0.212 1.00 0.00 H HETATM 188 H83 UNL 1 0.101 0.593 0.017 1.00 0.00 H HETATM 189 H84 UNL 1 -0.324 2.147 -0.405 1.00 0.00 H HETATM 190 H85 UNL 1 0.884 -4.666 5.530 1.00 0.00 H HETATM 191 H86 UNL 1 0.092 -4.070 7.001 1.00 0.00 H HETATM 192 H87 UNL 1 -1.938 -4.950 6.378 1.00 0.00 H HETATM 193 H88 UNL 1 -1.078 -5.722 4.980 1.00 0.00 H HETATM 194 H89 UNL 1 -3.066 -3.838 4.639 1.00 0.00 H HETATM 195 H90 UNL 1 -1.549 -3.928 3.563 1.00 0.00 H HETATM 196 H91 UNL 1 -1.606 -1.669 4.348 1.00 0.00 H HETATM 197 H92 UNL 1 -3.360 -0.675 5.344 1.00 0.00 H HETATM 198 H93 UNL 1 -3.999 -1.638 8.132 1.00 0.00 H HETATM 199 H94 UNL 1 -2.584 -0.013 8.838 1.00 0.00 H HETATM 200 H95 UNL 1 -4.223 0.565 9.115 1.00 0.00 H HETATM 201 H96 UNL 1 -2.555 1.632 6.810 1.00 0.00 H HETATM 202 H97 UNL 1 -4.116 2.262 7.407 1.00 0.00 H HETATM 203 H98 UNL 1 -3.288 2.648 9.653 1.00 0.00 H HETATM 204 H99 UNL 1 -2.400 3.567 8.407 1.00 0.00 H HETATM 205 HA0 UNL 1 -0.909 2.761 10.078 1.00 0.00 H HETATM 206 HA1 UNL 1 -1.465 1.098 9.956 1.00 0.00 H HETATM 207 HA2 UNL 1 -0.204 0.812 8.167 1.00 0.00 H HETATM 208 HA3 UNL 1 0.577 2.261 8.607 1.00 0.00 H HETATM 209 HA4 UNL 1 -5.024 1.240 5.795 1.00 0.00 H HETATM 210 HA5 UNL 1 -7.821 0.741 6.505 1.00 0.00 H HETATM 211 HA6 UNL 1 -8.209 2.245 4.604 1.00 0.00 H HETATM 212 HA7 UNL 1 -6.658 1.881 3.849 1.00 0.00 H HETATM 213 HA8 UNL 1 -5.567 3.114 5.826 1.00 0.00 H HETATM 214 HA9 UNL 1 -6.990 4.877 6.837 1.00 0.00 H HETATM 215 HB0 UNL 1 -7.019 3.275 7.610 1.00 0.00 H HETATM 216 HB1 UNL 1 -8.434 3.876 6.599 1.00 0.00 H HETATM 217 HB2 UNL 1 -7.534 4.792 4.229 1.00 0.00 H HETATM 218 HB3 UNL 1 -5.984 4.095 3.545 1.00 0.00 H HETATM 219 HB4 UNL 1 -5.930 5.278 4.923 1.00 0.00 H HETATM 220 HB5 UNL 1 -8.804 -0.626 3.165 1.00 0.00 H HETATM 221 HB6 UNL 1 -9.588 -0.416 4.745 1.00 0.00 H CONECT 1 2 106 107 108 CONECT 2 3 109 110 CONECT 3 4 5 111 CONECT 4 112 113 114 CONECT 5 6 68 115 CONECT 6 7 116 CONECT 7 8 8 9 CONECT 9 10 17 117 CONECT 10 11 118 119 CONECT 11 12 120 121 CONECT 12 13 122 123 CONECT 13 14 124 CONECT 14 15 15 16 CONECT 15 125 CONECT 16 126 127 CONECT 17 18 128 CONECT 18 19 19 20 CONECT 20 21 28 129 CONECT 21 22 130 131 CONECT 22 23 132 133 CONECT 23 24 134 135 CONECT 24 25 136 CONECT 25 26 26 27 CONECT 26 137 CONECT 27 138 139 CONECT 28 29 140 CONECT 29 30 30 31 CONECT 31 32 36 141 CONECT 32 33 142 143 CONECT 33 34 35 144 CONECT 34 145 146 147 CONECT 35 148 149 150 CONECT 36 37 151 CONECT 37 38 38 39 CONECT 39 40 47 152 CONECT 40 41 153 154 CONECT 41 42 42 46 CONECT 42 43 155 CONECT 43 44 44 156 CONECT 44 45 157 CONECT 45 46 46 158 CONECT 46 159 CONECT 47 48 160 CONECT 48 49 49 50 CONECT 50 51 161 162 CONECT 51 52 163 CONECT 52 53 53 54 CONECT 54 55 164 165 CONECT 55 56 166 CONECT 56 57 57 58 CONECT 58 59 60 167 CONECT 59 168 169 CONECT 60 61 170 171 CONECT 61 62 62 67 CONECT 62 63 172 CONECT 63 64 64 173 CONECT 64 65 66 CONECT 65 174 CONECT 66 67 67 175 CONECT 67 176 CONECT 68 69 69 70 CONECT 70 71 177 CONECT 71 72 79 178 CONECT 72 73 179 180 CONECT 73 74 181 182 CONECT 74 75 183 184 CONECT 75 76 185 CONECT 76 77 77 78 CONECT 77 186 CONECT 78 187 188 189 CONECT 79 80 80 81 CONECT 81 82 85 CONECT 82 83 190 191 CONECT 83 84 192 193 CONECT 84 85 194 195 CONECT 85 86 196 CONECT 86 87 87 88 CONECT 88 89 197 CONECT 89 90 95 198 CONECT 90 91 199 200 CONECT 91 92 201 202 CONECT 92 93 203 204 CONECT 93 94 205 206 CONECT 94 207 208 CONECT 95 96 96 97 CONECT 97 98 209 CONECT 98 99 103 210 CONECT 99 100 211 212 CONECT 100 101 102 213 CONECT 101 214 215 216 CONECT 102 217 218 219 CONECT 103 104 105 105 CONECT 104 220 221 END SMILES for HMDB0012935 (Dynorphin A)CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O INCHI for HMDB0012935 (Dynorphin A)InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1 3D Structure for HMDB0012935 (Dynorphin A) | 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| Synonyms |
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| Chemical Formula | C69H116N23O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1475.8056 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1474.912295913 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-{2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-[(azaniumylmethanimidoyl)amino]pentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-methylbutyl]hexanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-{2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-[(ammoniomethanimidoyl)amino]pentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-methylbutyl]hexanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | 80448-90-4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZIHYAUCIMOSJIH-QGLXRRFISA-O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Solid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
NMR Spectra
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biospecimen Locations |
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| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | FDB029215 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 30776662 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Dynorphin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 53481554 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | 4727 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
