Showing NP-Card for Piscicolin-61 (NP0022464)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 07:38:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:39:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0022464 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Piscicolin-61 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Piscicolin-61 is found in Carnobacterium and Carnobacterium maltaromaticum. Based on a literature review very few articles have been published on Piscicolin-61. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0022464 (Piscicolin-61)
Mrv1652307042108083D
209209 0 0 0 0 999 V2000
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93187 1 0 0 0 0
93188 1 0 0 0 0
94189 1 0 0 0 0
97190 1 0 0 0 0
98191 1 6 0 0 0
99192 1 0 0 0 0
99193 1 0 0 0 0
100194 1 1 0 0 0
101195 1 0 0 0 0
101196 1 0 0 0 0
101197 1 0 0 0 0
102198 1 0 0 0 0
102199 1 0 0 0 0
102200 1 0 0 0 0
104201 1 0 0 0 0
104202 1 0 0 0 0
106203 1 1 0 0 0
107204 1 0 0 0 0
107205 1 0 0 0 0
107206 1 0 0 0 0
108207 1 0 0 0 0
108208 1 0 0 0 0
108209 1 0 0 0 0
M END
3D MOL for NP0022464 (Piscicolin-61)
RDKit 3D
209209 0 0 0 0 0 0 0 0999 V2000
2.4913 4.0318 5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 3.2606 5.5423 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 4.0138 4.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3011 -6.6313 -5.2733 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7390 -7.1136 -5.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8517 -8.5771 -5.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0868 -9.2502 -5.4067 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -9.2885 -5.4998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3243 -5.1200 -4.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4424 -4.3169 -5.1408 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.6944 -2.0154 -6.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 -1.8900 -6.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5097 -2.6724 -3.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3032 -3.3298 -2.6428 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 -1.7111 -3.6948 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3770 -1.3846 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1233 -2.5983 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8136 -3.6654 -2.6335 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9796 -2.4450 -1.0211 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8848 -2.3012 0.0400 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9820 -2.5590 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4553 -3.8974 2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0812 -3.4958 3.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1559 -4.2933 4.3639 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2553 -0.9124 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1954 -0.1696 0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4947 -0.2853 0.5398 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4860 1.1085 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6611 1.8915 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3653 1.3539 -1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2517 3.1700 0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4248 4.0983 -0.3766 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1974 3.2445 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3300 4.1038 -1.5604 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8725 5.0993 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2261 5.0115 1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9824 6.1353 0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4964 7.0361 1.2413 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1307 8.3935 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7761 8.9323 -0.1461 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 7.0676 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3518 6.0282 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 8.2194 1.6141 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 8.2819 1.6155 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4804 8.8403 2.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9064 9.0975 3.3246 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6612 10.1338 2.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 7.7916 3.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 8.9664 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8938 9.0600 -0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3056 9.5343 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -8.6976 -1.5786 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3345 -10.1564 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -8.1169 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0603 3.4556 4.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.1813 6.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 5.0684 4.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 5.0897 4.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0371 3.9462 3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.6279 3.5275 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8686 4.3999 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.4155 3.8573 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6450 6.2600 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.2552 8.2057 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.3642 -8.8452 -0.8869 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
4 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
12 14 2 0
9 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
18 20 1 0
20 21 1 0
21 22 2 0
21 23 1 0
5 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
27 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 2 0
35 37 1 0
33 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
42 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 2 0
49 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 2 0
60 61 1 0
61 62 2 0
62 63 1 0
62 64 1 0
64 65 2 0
57 66 1 0
66 67 2 0
66 68 1 0
68 69 1 0
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72 73 1 0
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74 75 1 0
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76 77 1 0
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83 85 1 0
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89 91 1 0
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92 93 1 0
93 94 1 0
92 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
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103104 1 0
103105 2 0
45106 1 0
106107 1 0
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65 59 1 0
1109 1 0
1110 1 0
1111 1 0
3112 1 0
3113 1 0
4114 1 0
4115 1 0
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6117 1 0
9118 1 6
10119 1 0
10120 1 0
11121 1 0
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13123 1 0
13124 1 0
15125 1 0
18126 1 6
19127 1 0
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20129 1 0
20130 1 0
23131 1 0
26132 1 0
27133 1 6
28134 1 0
28135 1 0
29136 1 0
32137 1 0
33138 1 6
34139 1 0
34140 1 0
37141 1 0
40142 1 0
41143 1 0
41144 1 0
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48147 1 0
49148 1 6
50149 1 0
50150 1 0
52151 1 0
52152 1 0
56153 1 0
57154 1 1
58155 1 0
58156 1 0
60157 1 0
61158 1 0
63159 1 0
64160 1 0
65161 1 0
68162 1 0
69163 1 0
69164 1 0
72165 1 0
73166 1 6
74167 1 0
74168 1 0
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78175 1 0
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81177 1 0
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82179 1 0
85180 1 0
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87182 1 0
87183 1 0
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92186 1 1
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93188 1 0
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97190 1 0
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99192 1 0
99193 1 0
100194 1 1
101195 1 0
101196 1 0
101197 1 0
102198 1 0
102199 1 0
102200 1 0
104201 1 0
104202 1 0
106203 1 1
107204 1 0
107205 1 0
107206 1 0
108207 1 0
108208 1 0
108209 1 0
M END
3D SDF for NP0022464 (Piscicolin-61)
Mrv1652307042108083D
209209 0 0 0 0 999 V2000
2.4913 4.0318 5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 3.2606 5.5423 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 4.0138 4.4303 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6702 3.3046 4.6155 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7944 3.7040 3.7978 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0293 2.9456 4.1655 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7183 2.0495 3.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2640 1.7638 2.1717 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9520 1.2630 3.6181 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6901 1.3250 4.8477 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2984 2.5931 5.3354 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9543 2.2622 6.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8791 3.0328 7.3342 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5839 1.1407 7.1676 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7869 1.3365 2.4070 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7655 0.3922 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0088 -0.5815 1.4706 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6284 0.5484 0.1690 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3734 1.8096 0.1766 N 0 0 2 0 0 0 0 0 0 0 0 0
-8.6191 -0.5343 -0.0646 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.1039 -1.8660 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
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107206 1 0 0 0 0
108207 1 0 0 0 0
108208 1 0 0 0 0
108209 1 0 0 0 0
M END
> <DATABASE_ID>
NP0022464
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])[C@@]([H])(N([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])([H])O[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C63H101N19O25S/c1-29(2)18-37(52(68)96)76-61(105)42(27-84)81-60(104)41(26-83)73-47(90)24-69-54(98)34(8-6-7-16-64)72-46(89)23-70-55(99)38(19-31-9-11-32(86)12-10-31)77-59(103)39(21-45(67)88)79-63(107)51(30(3)4)82-48(91)25-71-56(100)40(22-50(94)95)78-62(106)43(28-85)80-58(102)36(15-17-108-5)75-57(101)35(13-14-44(66)87)74-53(97)33(65)20-49(92)93/h9-12,29-30,33-43,51,83-86H,6-8,13-28,64-65H2,1-5H3,(H2,66,87)(H2,67,88)(H2,68,96)(H,69,98)(H,70,99)(H,71,100)(H,72,89)(H,73,90)(H,74,97)(H,75,101)(H,76,105)(H,77,103)(H,78,106)(H,79,107)(H,80,102)(H,81,104)(H,82,91)(H,92,93)(H,94,95)/t33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,51-/m1/s1
> <INCHI_KEY>
QCFJNSVYJRNPNK-UHFFFAOYSA-N
> <FORMULA>
C63H101N19O25S
> <MOLECULAR_WEIGHT>
1556.67
> <EXACT_MASS>
1555.693671002
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
209
> <JCHEM_AVERAGE_POLARIZABILITY>
156.08160930029604
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
25
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3S)-3-[({[(1R)-1-{[(1R)-1-({1-[({[(1R)-5-amino-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]propanoic acid
> <ALOGPS_LOGP>
-3.49
> <JCHEM_LOGP>
-18.148872706415567
> <ALOGPS_LOGS>
-4.59
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
3.654081686186074
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0344412829486473
> <JCHEM_PKA_STRONGEST_BASIC>
10.259153287207523
> <JCHEM_POLAR_SURFACE_AREA>
744.2299999999999
> <JCHEM_REFRACTIVITY>
371.8435000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
53
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.99e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-[({[(1R)-1-{[(1R)-1-({1-[({[(1R)-5-amino-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0022464 (Piscicolin-61)
RDKit 3D
209209 0 0 0 0 0 0 0 0999 V2000
2.4913 4.0318 5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 3.2606 5.5423 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 4.0138 4.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6702 3.3046 4.6155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7944 3.7040 3.7978 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0293 2.9456 4.1655 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7183 2.0495 3.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2640 1.7638 2.1717 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9520 1.2630 3.6181 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6901 1.3250 4.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2984 2.5931 5.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9543 2.2622 6.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8791 3.0328 7.3342 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5839 1.1407 7.1676 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7869 1.3365 2.4070 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7655 0.3922 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0088 -0.5815 1.4706 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6284 0.5484 0.1690 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3734 1.8096 0.1766 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6191 -0.5343 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1039 -1.8660 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6579 -2.5554 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1209 -2.3721 -1.5634 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7233 3.4669 2.3202 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8539 3.7487 1.7339 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7065 2.9955 1.5498 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0119 2.6960 0.0979 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1142 3.4617 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2389 3.1855 -0.5927 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 1.1974 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 0.8710 0.6058 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5964 0.1937 -0.3508 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 -1.1680 -0.1943 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2244 -1.3755 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7734 -2.6890 1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 -3.6230 1.9902 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4065 -2.9670 1.9632 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 -2.1966 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9861 -1.9575 -1.3875 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3815 -3.5265 -0.9063 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0818 -4.6151 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -5.8415 -1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1067 -5.6528 -0.9385 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5269 -7.0228 -2.1580 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -8.1923 -2.3048 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3467 -8.0046 -3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -8.6432 -4.6313 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3179 -7.1420 -4.0809 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3011 -6.6313 -5.2733 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7390 -7.1136 -5.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8517 -8.5771 -5.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0868 -9.2502 -5.4067 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -9.2885 -5.4998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3243 -5.1200 -4.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -4.6535 -4.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4424 -4.3169 -5.1408 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6582 -2.9434 -4.8640 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6944 -2.0154 -6.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 -1.8900 -6.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 -0.8654 -6.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6920 -0.6252 -6.7394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1541 -1.4095 -7.7978 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4216 -1.1656 -8.3404 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3308 -2.3945 -8.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0744 -2.6412 -7.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -2.6724 -3.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3032 -3.3298 -2.6428 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 -1.7111 -3.6948 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3770 -1.3846 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1233 -2.5983 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8136 -3.6654 -2.6335 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9796 -2.4450 -1.0211 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8848 -2.3012 0.0400 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9820 -2.5590 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4047 -3.9093 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4553 -3.8974 2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0812 -3.4958 3.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1559 -4.2933 4.3639 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2553 -0.9124 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1954 -0.1696 0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4947 -0.2853 0.5398 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4860 1.1085 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6611 1.8915 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3653 1.3539 -1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2517 3.1700 0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4248 4.0983 -0.3766 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1974 3.2445 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3300 4.1038 -1.5604 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8725 5.0993 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2261 5.0115 1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9824 6.1353 0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4964 7.0361 1.2413 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1307 8.3935 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7761 8.9323 -0.1461 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 7.0676 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3518 6.0282 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 8.2194 1.6141 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 8.2819 1.6155 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4804 8.8403 2.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9064 9.0975 3.3246 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6612 10.1338 2.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 7.7916 3.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 8.9664 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8938 9.0600 -0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3056 9.5343 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -8.6976 -1.5786 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3345 -10.1564 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -8.1169 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0603 3.4556 4.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.1813 6.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 5.0684 4.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 5.0897 4.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0371 3.9462 3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9247 3.2795 5.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4409 2.1952 4.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0755 4.7532 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3312 3.1798 5.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5564 0.1782 3.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4344 0.4870 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9966 0.9927 5.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0599 3.0483 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5706 3.3894 5.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9679 4.0777 7.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6149 2.5632 7.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4707 2.1526 2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9432 0.6052 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7996 2.0026 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6681 2.5492 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2423 -0.1980 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3900 -0.4879 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2424 -1.8102 -2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7342 2.8071 1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0529 2.8463 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2927 4.5312 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 3.2834 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7211 3.4760 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5003 0.3667 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 -1.2101 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7993 -0.5237 1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3345 -1.3016 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -3.8476 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4336 -3.6925 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2486 -4.3825 -2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0316 -4.7781 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5014 -7.0729 -2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5213 -9.0447 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 -6.6156 -3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 -6.7771 -6.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 -6.6612 -4.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1680 -6.6711 -6.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4922 -9.5925 -6.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 -9.4348 -4.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 -4.8310 -5.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5353 -2.6808 -4.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 -2.2713 -6.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0174 -0.9848 -5.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1209 -0.2550 -5.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3595 0.1511 -6.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9887 -0.4139 -7.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6887 -3.0041 -9.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 -3.4413 -8.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7280 -1.2046 -4.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8019 -1.0162 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1734 -0.6791 -2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1741 -3.7831 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6557 -3.0225 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6002 -2.2636 2.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1659 -1.7832 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 -4.1175 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1442 -4.7356 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6871 -3.1087 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9523 -4.8752 2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3290 -2.3804 3.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2651 -3.5224 4.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1223 -4.3585 5.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1903 -5.2486 3.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3920 -0.7603 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0555 1.1622 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4914 1.5350 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 3.5275 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8686 4.3999 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5685 2.5046 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6919 2.7599 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4155 3.8573 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6450 6.2600 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8337 6.5930 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8713 9.0544 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2552 8.2057 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5814 9.1109 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8294 9.0771 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5226 7.1966 1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9151 8.1315 3.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0473 9.8222 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8935 9.4278 4.4148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 10.7934 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4986 9.6933 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 10.8397 3.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6761 7.3258 2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7930 8.0944 3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.2459 -8.3168 -2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8251 -7.1660 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3642 -8.8452 -0.8869 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
4 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
12 14 2 0
9 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
18 20 1 0
20 21 1 0
21 22 2 0
21 23 1 0
5 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
27 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 2 0
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M END
PDB for NP0022464 (Piscicolin-61)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 2.491 4.032 5.232 0.00 0.00 C+0 HETATM 2 S UNK 0 0.882 3.261 5.542 0.00 0.00 S+0 HETATM 3 C UNK 0 -0.355 4.014 4.430 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.670 3.305 4.615 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.794 3.704 3.798 0.00 0.00 C+0 HETATM 6 N UNK 0 -4.029 2.946 4.165 0.00 0.00 N+0 HETATM 7 C UNK 0 -4.718 2.050 3.393 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.264 1.764 2.172 0.00 0.00 O+0 HETATM 9 C UNK 0 -5.952 1.263 3.618 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.690 1.325 4.848 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.298 2.593 5.335 0.00 0.00 C+0 HETATM 12 C UNK 0 -7.954 2.262 6.658 0.00 0.00 C+0 HETATM 13 N UNK 0 -8.879 3.033 7.334 0.00 0.00 N+0 HETATM 14 O UNK 0 -7.584 1.141 7.168 0.00 0.00 O+0 HETATM 15 N UNK 0 -6.787 1.337 2.407 0.00 0.00 N+0 HETATM 16 C UNK 0 -6.766 0.392 1.371 0.00 0.00 C+0 HETATM 17 O UNK 0 -6.009 -0.582 1.471 0.00 0.00 O+0 HETATM 18 C UNK 0 -7.628 0.548 0.169 0.00 0.00 C+0 HETATM 19 N UNK 0 -8.373 1.810 0.177 0.00 0.00 N+0 HETATM 20 C UNK 0 -8.619 -0.534 -0.065 0.00 0.00 C+0 HETATM 21 C UNK 0 -8.104 -1.866 -0.266 0.00 0.00 C+0 HETATM 22 O UNK 0 -7.658 -2.555 0.656 0.00 0.00 O+0 HETATM 23 O UNK 0 -8.121 -2.372 -1.563 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.723 3.467 2.320 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.854 3.749 1.734 0.00 0.00 O+0 HETATM 26 N UNK 0 -1.706 2.995 1.550 0.00 0.00 N+0 HETATM 27 C UNK 0 -2.012 2.696 0.098 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.114 3.462 -0.794 0.00 0.00 C+0 HETATM 29 O UNK 0 0.239 3.186 -0.593 0.00 0.00 O+0 HETATM 30 C UNK 0 -1.754 1.197 0.099 0.00 0.00 C+0 HETATM 31 O UNK 0 -0.614 0.871 0.606 0.00 0.00 O+0 HETATM 32 N UNK 0 -2.596 0.194 -0.351 0.00 0.00 N+0 HETATM 33 C UNK 0 -2.121 -1.168 -0.194 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.224 -1.375 1.380 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.773 -2.689 1.787 0.00 0.00 C+0 HETATM 36 O UNK 0 -2.574 -3.623 1.990 0.00 0.00 O+0 HETATM 37 O UNK 0 -0.407 -2.967 1.963 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.889 -2.197 -0.859 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.986 -1.958 -1.387 0.00 0.00 O+0 HETATM 40 N UNK 0 -2.381 -3.527 -0.906 0.00 0.00 N+0 HETATM 41 C UNK 0 -3.082 -4.615 -1.529 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.190 -5.841 -1.536 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.107 -5.653 -0.939 0.00 0.00 O+0 HETATM 44 N UNK 0 -2.527 -7.023 -2.158 0.00 0.00 N+0 HETATM 45 C UNK 0 -1.742 -8.192 -2.305 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.347 -8.005 -3.842 0.00 0.00 C+0 HETATM 47 O UNK 0 -2.048 -8.643 -4.631 0.00 0.00 O+0 HETATM 48 N UNK 0 -0.318 -7.142 -4.081 0.00 0.00 N+0 HETATM 49 C UNK 0 0.301 -6.631 -5.273 0.00 0.00 C+0 HETATM 50 C UNK 0 1.739 -7.114 -5.345 0.00 0.00 C+0 HETATM 51 C UNK 0 1.852 -8.577 -5.415 0.00 0.00 C+0 HETATM 52 N UNK 0 3.087 -9.250 -5.407 0.00 0.00 N+0 HETATM 53 O UNK 0 0.803 -9.289 -5.500 0.00 0.00 O+0 HETATM 54 C UNK 0 0.324 -5.120 -4.985 0.00 0.00 C+0 HETATM 55 O UNK 0 -0.763 -4.654 -4.563 0.00 0.00 O+0 HETATM 56 N UNK 0 1.442 -4.317 -5.141 0.00 0.00 N+0 HETATM 57 C UNK 0 1.658 -2.943 -4.864 0.00 0.00 C+0 HETATM 58 C UNK 0 1.694 -2.015 -6.009 0.00 0.00 C+0 HETATM 59 C UNK 0 0.389 -1.890 -6.704 0.00 0.00 C+0 HETATM 60 C UNK 0 -0.451 -0.865 -6.211 0.00 0.00 C+0 HETATM 61 C UNK 0 -1.692 -0.625 -6.739 0.00 0.00 C+0 HETATM 62 C UNK 0 -2.154 -1.410 -7.798 0.00 0.00 C+0 HETATM 63 O UNK 0 -3.422 -1.166 -8.340 0.00 0.00 O+0 HETATM 64 C UNK 0 -1.331 -2.394 -8.267 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.074 -2.641 -7.734 0.00 0.00 C+0 HETATM 66 C UNK 0 2.510 -2.672 -3.699 0.00 0.00 C+0 HETATM 67 O UNK 0 2.303 -3.330 -2.643 0.00 0.00 O+0 HETATM 68 N UNK 0 3.549 -1.711 -3.695 0.00 0.00 N+0 HETATM 69 C UNK 0 4.377 -1.385 -2.587 0.00 0.00 C+0 HETATM 70 C UNK 0 5.123 -2.598 -2.029 0.00 0.00 C+0 HETATM 71 O UNK 0 4.814 -3.665 -2.634 0.00 0.00 O+0 HETATM 72 N UNK 0 5.980 -2.445 -1.021 0.00 0.00 N+0 HETATM 73 C UNK 0 6.885 -2.301 0.040 0.00 0.00 C+0 HETATM 74 C UNK 0 5.982 -2.559 1.357 0.00 0.00 C+0 HETATM 75 C UNK 0 5.405 -3.909 1.411 0.00 0.00 C+0 HETATM 76 C UNK 0 4.455 -3.897 2.611 0.00 0.00 C+0 HETATM 77 C UNK 0 5.081 -3.496 3.883 0.00 0.00 C+0 HETATM 78 N UNK 0 6.156 -4.293 4.364 0.00 0.00 N+0 HETATM 79 C UNK 0 7.255 -0.912 0.358 0.00 0.00 C+0 HETATM 80 O UNK 0 6.195 -0.170 0.494 0.00 0.00 O+0 HETATM 81 N UNK 0 8.495 -0.285 0.540 0.00 0.00 N+0 HETATM 82 C UNK 0 8.486 1.109 0.971 0.00 0.00 C+0 HETATM 83 C UNK 0 7.661 1.892 -0.023 0.00 0.00 C+0 HETATM 84 O UNK 0 7.365 1.354 -1.111 0.00 0.00 O+0 HETATM 85 N UNK 0 7.252 3.170 0.351 0.00 0.00 N+0 HETATM 86 C UNK 0 6.425 4.098 -0.377 0.00 0.00 C+0 HETATM 87 C UNK 0 5.197 3.244 -0.895 0.00 0.00 C+0 HETATM 88 O UNK 0 4.330 4.104 -1.560 0.00 0.00 O+0 HETATM 89 C UNK 0 5.872 5.099 0.545 0.00 0.00 C+0 HETATM 90 O UNK 0 6.226 5.011 1.775 0.00 0.00 O+0 HETATM 91 N UNK 0 4.982 6.135 0.201 0.00 0.00 N+0 HETATM 92 C UNK 0 4.496 7.036 1.241 0.00 0.00 C+0 HETATM 93 C UNK 0 5.131 8.393 1.070 0.00 0.00 C+0 HETATM 94 O UNK 0 4.776 8.932 -0.146 0.00 0.00 O+0 HETATM 95 C UNK 0 3.019 7.068 1.244 0.00 0.00 C+0 HETATM 96 O UNK 0 2.352 6.028 0.899 0.00 0.00 O+0 HETATM 97 N UNK 0 2.323 8.219 1.614 0.00 0.00 N+0 HETATM 98 C UNK 0 0.830 8.282 1.615 0.00 0.00 C+0 HETATM 99 C UNK 0 0.480 8.840 2.936 0.00 0.00 C+0 HETATM 100 C UNK 0 -0.906 9.098 3.325 0.00 0.00 C+0 HETATM 101 C UNK 0 -1.661 10.134 2.554 0.00 0.00 C+0 HETATM 102 C UNK 0 -1.736 7.792 3.350 0.00 0.00 C+0 HETATM 103 C UNK 0 0.428 8.966 0.421 0.00 0.00 C+0 HETATM 104 N UNK 0 -0.894 9.060 -0.058 0.00 0.00 N+0 HETATM 105 O UNK 0 1.306 9.534 -0.281 0.00 0.00 O+0 HETATM 106 C UNK 0 -0.642 -8.698 -1.579 0.00 0.00 C+0 HETATM 107 C UNK 0 -0.335 -10.156 -2.167 0.00 0.00 C+0 HETATM 108 C UNK 0 0.717 -8.117 -1.565 0.00 0.00 C+0 HETATM 109 H UNK 0 3.060 3.456 4.513 0.00 0.00 H+0 HETATM 110 H UNK 0 3.051 4.181 6.172 0.00 0.00 H+0 HETATM 111 H UNK 0 2.358 5.068 4.780 0.00 0.00 H+0 HETATM 112 H UNK 0 -0.441 5.090 4.695 0.00 0.00 H+0 HETATM 113 H UNK 0 0.037 3.946 3.437 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.925 3.280 5.723 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.441 2.195 4.398 0.00 0.00 H+0 HETATM 116 H UNK 0 -3.075 4.753 3.861 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.331 3.180 5.153 0.00 0.00 H+0 HETATM 118 H UNK 0 -5.556 0.178 3.527 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.434 0.487 4.854 0.00 0.00 H+0 HETATM 120 H UNK 0 -5.997 0.993 5.689 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.060 3.048 4.637 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.571 3.389 5.536 0.00 0.00 H+0 HETATM 123 H UNK 0 -8.968 4.078 7.293 0.00 0.00 H+0 HETATM 124 H UNK 0 -9.615 2.563 7.970 0.00 0.00 H+0 HETATM 125 H UNK 0 -7.471 2.153 2.302 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.943 0.605 -0.731 0.00 0.00 H+0 HETATM 127 H UNK 0 -8.800 2.003 -0.796 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.668 2.549 0.369 0.00 0.00 H+0 HETATM 129 H UNK 0 -9.242 -0.198 -0.946 0.00 0.00 H+0 HETATM 130 H UNK 0 -9.390 -0.488 0.772 0.00 0.00 H+0 HETATM 131 H UNK 0 -8.242 -1.810 -2.388 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.734 2.807 1.813 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.053 2.846 -0.123 0.00 0.00 H+0 HETATM 134 H UNK 0 -1.293 4.531 -0.632 0.00 0.00 H+0 HETATM 135 H UNK 0 -1.278 3.283 -1.891 0.00 0.00 H+0 HETATM 136 H UNK 0 0.721 3.476 -1.427 0.00 0.00 H+0 HETATM 137 H UNK 0 -3.500 0.367 -0.791 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.037 -1.210 -0.349 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.799 -0.524 1.890 0.00 0.00 H+0 HETATM 140 H UNK 0 -3.334 -1.302 1.589 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.019 -3.848 1.790 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.434 -3.692 -0.461 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.249 -4.383 -2.595 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.032 -4.778 -1.017 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.501 -7.073 -2.588 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.521 -9.045 -2.371 0.00 0.00 H+0 HETATM 147 H UNK 0 0.121 -6.616 -3.206 0.00 0.00 H+0 HETATM 148 H UNK 0 -0.255 -6.777 -6.181 0.00 0.00 H+0 HETATM 149 H UNK 0 2.294 -6.661 -4.502 0.00 0.00 H+0 HETATM 150 H UNK 0 2.168 -6.671 -6.281 0.00 0.00 H+0 HETATM 151 H UNK 0 3.492 -9.592 -6.292 0.00 0.00 H+0 HETATM 152 H UNK 0 3.567 -9.435 -4.511 0.00 0.00 H+0 HETATM 153 H UNK 0 2.306 -4.831 -5.557 0.00 0.00 H+0 HETATM 154 H UNK 0 0.535 -2.681 -4.405 0.00 0.00 H+0 HETATM 155 H UNK 0 2.483 -2.271 -6.768 0.00 0.00 H+0 HETATM 156 H UNK 0 2.017 -0.985 -5.626 0.00 0.00 H+0 HETATM 157 H UNK 0 -0.121 -0.255 -5.398 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.360 0.151 -6.388 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.989 -0.414 -7.956 0.00 0.00 H+0 HETATM 160 H UNK 0 -1.689 -3.004 -9.079 0.00 0.00 H+0 HETATM 161 H UNK 0 0.497 -3.441 -8.173 0.00 0.00 H+0 HETATM 162 H UNK 0 3.728 -1.205 -4.608 0.00 0.00 H+0 HETATM 163 H UNK 0 3.802 -1.016 -1.760 0.00 0.00 H+0 HETATM 164 H UNK 0 5.173 -0.679 -2.954 0.00 0.00 H+0 HETATM 165 H UNK 0 6.174 -3.783 -0.957 0.00 0.00 H+0 HETATM 166 H UNK 0 7.656 -3.022 0.183 0.00 0.00 H+0 HETATM 167 H UNK 0 6.600 -2.264 2.202 0.00 0.00 H+0 HETATM 168 H UNK 0 5.166 -1.783 1.236 0.00 0.00 H+0 HETATM 169 H UNK 0 4.787 -4.117 0.502 0.00 0.00 H+0 HETATM 170 H UNK 0 6.144 -4.736 1.471 0.00 0.00 H+0 HETATM 171 H UNK 0 3.687 -3.109 2.358 0.00 0.00 H+0 HETATM 172 H UNK 0 3.952 -4.875 2.676 0.00 0.00 H+0 HETATM 173 H UNK 0 5.329 -2.380 3.891 0.00 0.00 H+0 HETATM 174 H UNK 0 4.265 -3.522 4.684 0.00 0.00 H+0 HETATM 175 H UNK 0 6.122 -4.359 5.430 0.00 0.00 H+0 HETATM 176 H UNK 0 6.190 -5.249 3.972 0.00 0.00 H+0 HETATM 177 H UNK 0 9.392 -0.760 0.389 0.00 0.00 H+0 HETATM 178 H UNK 0 8.056 1.162 1.979 0.00 0.00 H+0 HETATM 179 H UNK 0 9.491 1.535 0.911 0.00 0.00 H+0 HETATM 180 H UNK 0 7.628 3.527 1.319 0.00 0.00 H+0 HETATM 181 H UNK 0 6.869 4.400 -1.301 0.00 0.00 H+0 HETATM 182 H UNK 0 5.569 2.505 -1.607 0.00 0.00 H+0 HETATM 183 H UNK 0 4.692 2.760 -0.056 0.00 0.00 H+0 HETATM 184 H UNK 0 3.416 3.857 -1.314 0.00 0.00 H+0 HETATM 185 H UNK 0 4.645 6.260 -0.796 0.00 0.00 H+0 HETATM 186 H UNK 0 4.834 6.593 2.210 0.00 0.00 H+0 HETATM 187 H UNK 0 4.871 9.054 1.880 0.00 0.00 H+0 HETATM 188 H UNK 0 6.255 8.206 1.008 0.00 0.00 H+0 HETATM 189 H UNK 0 5.581 9.111 -0.729 0.00 0.00 H+0 HETATM 190 H UNK 0 2.829 9.077 1.894 0.00 0.00 H+0 HETATM 191 H UNK 0 0.523 7.197 1.538 0.00 0.00 H+0 HETATM 192 H UNK 0 0.915 8.132 3.739 0.00 0.00 H+0 HETATM 193 H UNK 0 1.047 9.822 3.090 0.00 0.00 H+0 HETATM 194 H UNK 0 -0.894 9.428 4.415 0.00 0.00 H+0 HETATM 195 H UNK 0 -0.995 10.793 1.964 0.00 0.00 H+0 HETATM 196 H UNK 0 -2.499 9.693 1.986 0.00 0.00 H+0 HETATM 197 H UNK 0 -2.193 10.840 3.269 0.00 0.00 H+0 HETATM 198 H UNK 0 -1.676 7.326 2.347 0.00 0.00 H+0 HETATM 199 H UNK 0 -2.793 8.094 3.534 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.317 7.159 4.132 0.00 0.00 H+0 HETATM 201 H UNK 0 -1.227 9.977 -0.497 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.559 8.285 0.005 0.00 0.00 H+0 HETATM 203 H UNK 0 -0.860 -8.986 -0.489 0.00 0.00 H+0 HETATM 204 H UNK 0 -1.191 -10.786 -1.847 0.00 0.00 H+0 HETATM 205 H UNK 0 0.592 -10.457 -1.646 0.00 0.00 H+0 HETATM 206 H UNK 0 -0.190 -10.071 -3.241 0.00 0.00 H+0 HETATM 207 H UNK 0 1.246 -8.317 -2.527 0.00 0.00 H+0 HETATM 208 H UNK 0 0.825 -7.166 -1.113 0.00 0.00 H+0 HETATM 209 H UNK 0 1.364 -8.845 -0.887 0.00 0.00 H+0 CONECT 1 2 109 110 111 CONECT 2 1 3 CONECT 3 2 4 112 113 CONECT 4 3 5 114 115 CONECT 5 4 6 24 116 CONECT 6 5 7 117 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 15 118 CONECT 10 9 11 119 120 CONECT 11 10 12 121 122 CONECT 12 11 13 14 CONECT 13 12 123 124 CONECT 14 12 CONECT 15 9 16 125 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 20 126 CONECT 19 18 127 128 CONECT 20 18 21 129 130 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 131 CONECT 24 5 25 26 CONECT 25 24 CONECT 26 24 27 132 CONECT 27 26 28 30 133 CONECT 28 27 29 134 135 CONECT 29 28 136 CONECT 30 27 31 32 CONECT 31 30 CONECT 32 30 33 137 CONECT 33 32 34 38 138 CONECT 34 33 35 139 140 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 141 CONECT 38 33 39 40 CONECT 39 38 CONECT 40 38 41 142 CONECT 41 40 42 143 144 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 145 CONECT 45 44 46 106 146 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 147 CONECT 49 48 50 54 148 CONECT 50 49 51 149 150 CONECT 51 50 52 53 CONECT 52 51 151 152 CONECT 53 51 CONECT 54 49 55 56 CONECT 55 54 CONECT 56 54 57 153 CONECT 57 56 58 66 154 CONECT 58 57 59 155 156 CONECT 59 58 60 65 CONECT 60 59 61 157 CONECT 61 60 62 158 CONECT 62 61 63 64 CONECT 63 62 159 CONECT 64 62 65 160 CONECT 65 64 59 161 CONECT 66 57 67 68 CONECT 67 66 CONECT 68 66 69 162 CONECT 69 68 70 163 164 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 165 CONECT 73 72 74 79 166 CONECT 74 73 75 167 168 CONECT 75 74 76 169 170 CONECT 76 75 77 171 172 CONECT 77 76 78 173 174 CONECT 78 77 175 176 CONECT 79 73 80 81 CONECT 80 79 CONECT 81 79 82 177 CONECT 82 81 83 178 179 CONECT 83 82 84 85 CONECT 84 83 CONECT 85 83 86 180 CONECT 86 85 87 89 181 CONECT 87 86 88 182 183 CONECT 88 87 184 CONECT 89 86 90 91 CONECT 90 89 CONECT 91 89 92 185 CONECT 92 91 93 95 186 CONECT 93 92 94 187 188 CONECT 94 93 189 CONECT 95 92 96 97 CONECT 96 95 CONECT 97 95 98 190 CONECT 98 97 99 103 191 CONECT 99 98 100 192 193 CONECT 100 99 101 102 194 CONECT 101 100 195 196 197 CONECT 102 100 198 199 200 CONECT 103 98 104 105 CONECT 104 103 201 202 CONECT 105 103 CONECT 106 45 107 108 203 CONECT 107 106 204 205 206 CONECT 108 106 207 208 209 CONECT 109 1 CONECT 110 1 CONECT 111 1 CONECT 112 3 CONECT 113 3 CONECT 114 4 CONECT 115 4 CONECT 116 5 CONECT 117 6 CONECT 118 9 CONECT 119 10 CONECT 120 10 CONECT 121 11 CONECT 122 11 CONECT 123 13 CONECT 124 13 CONECT 125 15 CONECT 126 18 CONECT 127 19 CONECT 128 19 CONECT 129 20 CONECT 130 20 CONECT 131 23 CONECT 132 26 CONECT 133 27 CONECT 134 28 CONECT 135 28 CONECT 136 29 CONECT 137 32 CONECT 138 33 CONECT 139 34 CONECT 140 34 CONECT 141 37 CONECT 142 40 CONECT 143 41 CONECT 144 41 CONECT 145 44 CONECT 146 45 CONECT 147 48 CONECT 148 49 CONECT 149 50 CONECT 150 50 CONECT 151 52 CONECT 152 52 CONECT 153 56 CONECT 154 57 CONECT 155 58 CONECT 156 58 CONECT 157 60 CONECT 158 61 CONECT 159 63 CONECT 160 64 CONECT 161 65 CONECT 162 68 CONECT 163 69 CONECT 164 69 CONECT 165 72 CONECT 166 73 CONECT 167 74 CONECT 168 74 CONECT 169 75 CONECT 170 75 CONECT 171 76 CONECT 172 76 CONECT 173 77 CONECT 174 77 CONECT 175 78 CONECT 176 78 CONECT 177 81 CONECT 178 82 CONECT 179 82 CONECT 180 85 CONECT 181 86 CONECT 182 87 CONECT 183 87 CONECT 184 88 CONECT 185 91 CONECT 186 92 CONECT 187 93 CONECT 188 93 CONECT 189 94 CONECT 190 97 CONECT 191 98 CONECT 192 99 CONECT 193 99 CONECT 194 100 CONECT 195 101 CONECT 196 101 CONECT 197 101 CONECT 198 102 CONECT 199 102 CONECT 200 102 CONECT 201 104 CONECT 202 104 CONECT 203 106 CONECT 204 107 CONECT 205 107 CONECT 206 107 CONECT 207 108 CONECT 208 108 CONECT 209 108 MASTER 0 0 0 0 0 0 0 0 209 0 418 0 END SMILES for NP0022464 (Piscicolin-61)[H]OC(=O)C([H])([H])[C@@]([H])(N([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])([H])O[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0022464 (Piscicolin-61)InChI=1S/C63H101N19O25S/c1-29(2)18-37(52(68)96)76-61(105)42(27-84)81-60(104)41(26-83)73-47(90)24-69-54(98)34(8-6-7-16-64)72-46(89)23-70-55(99)38(19-31-9-11-32(86)12-10-31)77-59(103)39(21-45(67)88)79-63(107)51(30(3)4)82-48(91)25-71-56(100)40(22-50(94)95)78-62(106)43(28-85)80-58(102)36(15-17-108-5)75-57(101)35(13-14-44(66)87)74-53(97)33(65)20-49(92)93/h9-12,29-30,33-43,51,83-86H,6-8,13-28,64-65H2,1-5H3,(H2,66,87)(H2,67,88)(H2,68,96)(H,69,98)(H,70,99)(H,71,100)(H,72,89)(H,73,90)(H,74,97)(H,75,101)(H,76,105)(H,77,103)(H,78,106)(H,79,107)(H,80,102)(H,81,104)(H,82,91)(H,92,93)(H,94,95)/t33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,51-/m1/s1 3D Structure for NP0022464 (Piscicolin-61) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C63H101N19O25S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1556.6700 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1555.69367 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3S)-3-[({[(1R)-1-{[(1R)-1-({1-[({[(1R)-5-amino-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3S)-3-[({[(1R)-1-{[(1R)-1-({1-[({[(1R)-5-amino-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(O)=O)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H101N19O25S/c1-29(2)18-37(52(68)96)76-61(105)42(27-84)81-60(104)41(26-83)73-47(90)24-69-54(98)34(8-6-7-16-64)72-46(89)23-70-55(99)38(19-31-9-11-32(86)12-10-31)77-59(103)39(21-45(67)88)79-63(107)51(30(3)4)82-48(91)25-71-56(100)40(22-50(94)95)78-62(106)43(28-85)80-58(102)36(15-17-108-5)75-57(101)35(13-14-44(66)87)74-53(97)33(65)20-49(92)93/h9-12,29-30,33-43,51,83-86H,6-8,13-28,64-65H2,1-5H3,(H2,66,87)(H2,67,88)(H2,68,96)(H,69,98)(H,70,99)(H,71,100)(H,72,89)(H,73,90)(H,74,97)(H,75,101)(H,76,105)(H,77,103)(H,78,106)(H,79,107)(H,80,102)(H,81,104)(H,82,91)(H,92,93)(H,94,95) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QCFJNSVYJRNPNK-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA008260 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444095 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139585411 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
