Showing NP-Card for Dynorphin A (NP0339124)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-11 19:48:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-11 19:48:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0339124 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Dynorphin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Dynorphin A, also known as dynorphin a 1-17, belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Dynorphin A is a very strong basic compound (based on its pKa). 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. 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. Goldstein et al. Applied the synthetic peptide to the guinea ileum longitudinal muscle and found it to be an extraordinarily potent opioid peptide. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0339124 (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
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M CHG 1 77 1
M END
3D SDF for NP0339124 (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
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14.4432 -13.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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>
NP0339124
> <DATABASE_NAME>
NP-MRD
> <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
$$$$
PDB for NP0339124 (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 SMILES for NP0339124 (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 NP0339124 (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 NP0339124 (Dynorphin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C69H116N23O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1475.8056 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1474.91230 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0012935 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | FDB029215 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
