Showing NP-Card for Pax10 (NP0009835)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:33:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:04:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0009835 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Pax10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Pax10 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Pax10 is found in Xenorhabdus and Xenorhabdus nematophila. Based on a literature review very few articles have been published on Pax10. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0009835 (Pax10)
Mrv1652307012120343D
183183 0 0 0 0 999 V2000
20.7726 -2.7199 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0631 -1.7520 -0.8456 C 0 0 2 0 0 0 0 0 0 0 0 0
19.1135 -0.9178 -1.6566 C 0 0 2 0 0 0 0 0 0 0 0 0
18.3389 0.0907 -0.8642 C 0 0 1 0 0 0 0 0 0 0 0 0
17.5036 -0.5532 0.2290 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7132 0.4878 0.9751 C 0 0 1 0 0 0 0 0 0 0 0 0
15.8655 -0.0469 2.0752 C 0 0 2 0 0 0 0 0 0 0 0 0
14.8841 -1.0861 1.6319 C 0 0 2 0 0 0 0 0 0 0 0 0
13.9286 -0.6996 0.5767 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0312 0.4399 0.7924 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0801 0.4467 1.9166 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1426 -0.6813 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2966 -1.0799 0.9368 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4137 -0.1629 0.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7437 -0.9178 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4484 0.7050 0.9065 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3977 0.1327 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5737 -0.8764 2.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0765 0.7297 1.7936 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.3109 2.6110 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6821 0.9620 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 0.7209 3.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 1.7404 1.1741 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2727 2.4428 0.7176 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5116 3.3215 -0.4402 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0484 2.6831 -1.6696 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2759 1.5758 -2.2895 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1079 0.4334 -1.4610 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0558 -0.7910 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1765 -1.2940 -3.0107 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 -1.6793 -0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 1.7050 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 0.6872 1.4239 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1396 2.1122 -0.0251 N 0 0 0 0 0 0 0 0 0 0 0 0
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-12.5905 -2.1631 -3.3726 N 0 0 0 0 0 0 0 0 0 0 0 0
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-9.2191 -2.4428 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0110 -3.5028 0.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
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-12.3041 -1.9889 0.7064 C 0 0 2 0 0 0 0 0 0 0 0 0
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-9.0672 -0.6680 2.0226 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6741 0.6495 2.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6537 1.1658 3.3388 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 1.5282 1.0546 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.4750 2.4748 0.8877 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3297 3.4639 -0.2010 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.1984 2.8855 -1.5993 C 0 0 1 0 0 0 0 0 0 0 0 0
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-7.1467 2.3276 1.5637 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8597 2.5515 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7054 3.6580 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5528 1.9188 1.3866 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1628 1.4595 2.7431 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.4849 2.5554 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
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19.9853 -3.3692 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
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17.7169 0.6897 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1910 -1.1098 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8044 -1.2564 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4783 1.1595 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1601 1.1383 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3934 0.7499 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5750 -0.5790 2.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3734 -1.4618 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4804 -1.9518 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5282 -0.5199 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3413 -1.6290 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5106 0.6695 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6672 1.3844 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6980 0.4848 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5612 1.4563 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4993 -0.4454 2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7566 -1.5807 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9406 -1.6050 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6607 -1.9560 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1360 0.5142 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4277 -0.3025 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0223 1.5076 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9307 1.3351 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.5548 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2270 0.4031 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8243 -0.7894 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2785 1.7911 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 3.1659 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 3.9264 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2998 4.0691 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0984 2.3149 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1238 3.4860 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3359 1.9225 -2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 1.2360 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.2656 -1.4469 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.2202 -1.4656 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0009835 (Pax10)
RDKit 3D
183183 0 0 0 0 0 0 0 0999 V2000
20.7726 -2.7199 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0631 -1.7520 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1135 -0.9178 -1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3389 0.0907 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5036 -0.5532 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7132 0.4878 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8655 -0.0469 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8841 -1.0861 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9286 -0.6996 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0312 0.4399 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0801 0.4467 1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1426 -0.6813 2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2966 -1.0799 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4137 -0.1629 0.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7437 -0.9178 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4484 0.7050 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3977 0.1327 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5737 -0.8764 2.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0765 0.7297 1.7936 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.3109 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6821 0.9620 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 0.7209 3.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 1.7404 1.1741 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2727 2.4428 0.7176 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5116 3.3215 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
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76183 1 0
M END
3D SDF for NP0009835 (Pax10)
Mrv1652307012120343D
183183 0 0 0 0 999 V2000
20.7726 -2.7199 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0631 -1.7520 -0.8456 C 0 0 2 0 0 0 0 0 0 0 0 0
19.1135 -0.9178 -1.6566 C 0 0 2 0 0 0 0 0 0 0 0 0
18.3389 0.0907 -0.8642 C 0 0 1 0 0 0 0 0 0 0 0 0
17.5036 -0.5532 0.2290 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7132 0.4878 0.9751 C 0 0 1 0 0 0 0 0 0 0 0 0
15.8655 -0.0469 2.0752 C 0 0 2 0 0 0 0 0 0 0 0 0
14.8841 -1.0861 1.6319 C 0 0 2 0 0 0 0 0 0 0 0 0
13.9286 -0.6996 0.5767 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0312 0.4399 0.7924 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0801 0.4467 1.9166 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1426 -0.6813 2.0692 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2966 -1.0799 0.9368 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4137 -0.1629 0.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7437 -0.9178 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4484 0.7050 0.9065 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3977 0.1327 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5737 -0.8764 2.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0765 0.7297 1.7936 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.3109 2.6110 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6821 0.9620 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 0.7209 3.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 1.7404 1.1741 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2727 2.4428 0.7176 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5116 3.3215 -0.4402 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0484 2.6831 -1.6696 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2759 1.5758 -2.2895 C 0 0 1 0 0 0 0 0 0 0 0 0
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2.0558 -0.7910 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8602 -1.6793 -0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0
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19.9853 -3.3692 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
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19.7215 -0.3397 -2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0507 0.7964 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7169 0.6897 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1910 -1.1098 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8044 -1.2564 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4783 1.1595 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1601 1.1383 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3934 0.7499 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5750 -0.5790 2.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3734 -1.4618 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4804 -1.9518 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5282 -0.5199 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3413 -1.6290 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5106 0.6695 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6672 1.3844 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6980 0.4848 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5612 1.4563 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4993 -0.4454 2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7566 -1.5807 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9406 -1.6050 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6607 -1.9560 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1360 0.5142 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4277 -0.3025 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0223 1.5076 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9307 1.3351 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.5548 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2270 0.4031 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8243 -0.7894 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2785 1.7911 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 3.1659 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 3.9264 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2998 4.0691 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0984 2.3149 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1238 3.4860 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3359 1.9225 -2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 1.2360 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0988 -1.4809 -3.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2656 -1.4469 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 -2.5673 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2202 -1.4656 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0646 2.9446 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 0.9392 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0011 -0.5091 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6185 0.0940 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2487 -0.2352 -2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0100 1.4931 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2969 1.0561 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3245 1.5293 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9974 -1.0029 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4201 -1.2260 -2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1298 0.6040 -1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2269 -2.8760 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9177 -3.4950 -3.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9193 -4.4159 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6600 -2.0667 -4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0570 -3.7715 -4.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2411 -1.8600 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6587 -3.6680 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3468 -3.2891 -4.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9292 -1.5610 -4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8196 -1.1856 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9412 -2.8731 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3264 -3.3199 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0192 -0.4505 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0402 -2.3192 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5104 -0.6363 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2152 -2.1850 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0698 -2.8632 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5927 -1.3868 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9532 -0.6974 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1767 -0.0114 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5621 0.7127 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0431 2.0656 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6687 1.6239 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8206 -1.4002 2.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1324 1.0510 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3362 1.8250 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6388 3.0182 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4272 4.0860 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2676 4.0816 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2093 3.7724 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2466 2.3869 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3292 2.7212 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6385 1.2753 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7332 0.6345 -3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3150 1.6302 -3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4961 2.8816 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5898 0.9754 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9798 2.2974 3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1131 1.0336 2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9908 0.7309 3.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4755 0.2339 4.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0403 -1.2739 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6662 -0.6682 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7651 -1.5174 3.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8815 -2.8631 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0683 -2.0088 4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3073 -3.1222 5.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5870 3.7987 1.3047 H 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 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 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 3 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
43 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
52 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
61 67 1 0 0 0 0
67 68 1 0 0 0 0
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
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
70 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 35 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
1 81 1 0 0 0 0
2 82 1 0 0 0 0
2 83 1 0 0 0 0
3 84 1 0 0 0 0
3 85 1 0 0 0 0
4 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
5 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
8 94 1 0 0 0 0
8 95 1 0 0 0 0
9 96 1 0 0 0 0
9 97 1 0 0 0 0
10 98 1 0 0 0 0
10 99 1 0 0 0 0
11100 1 0 0 0 0
11101 1 0 0 0 0
12102 1 0 0 0 0
12103 1 0 0 0 0
13104 1 0 0 0 0
13105 1 0 0 0 0
14106 1 6 0 0 0
15107 1 0 0 0 0
16108 1 0 0 0 0
16109 1 0 0 0 0
19110 1 0 0 0 0
20111 1 0 0 0 0
20112 1 0 0 0 0
23113 1 0 0 0 0
24114 1 1 0 0 0
25115 1 0 0 0 0
25116 1 0 0 0 0
26117 1 0 0 0 0
26118 1 0 0 0 0
27119 1 0 0 0 0
27120 1 0 0 0 0
30121 1 0 0 0 0
30122 1 0 0 0 0
31123 1 0 0 0 0
31124 1 0 0 0 0
34125 1 0 0 0 0
35126 1 1 0 0 0
36127 1 0 0 0 0
36128 1 0 0 0 0
37129 1 0 0 0 0
37130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
39133 1 0 0 0 0
39134 1 0 0 0 0
40135 1 0 0 0 0
43136 1 1 0 0 0
44137 1 0 0 0 0
44138 1 0 0 0 0
45139 1 0 0 0 0
45140 1 0 0 0 0
46141 1 0 0 0 0
46142 1 0 0 0 0
47143 1 0 0 0 0
47144 1 0 0 0 0
48145 1 0 0 0 0
48146 1 0 0 0 0
49147 1 0 0 0 0
52148 1 6 0 0 0
53149 1 0 0 0 0
53150 1 0 0 0 0
54151 1 0 0 0 0
54152 1 0 0 0 0
55153 1 0 0 0 0
55154 1 0 0 0 0
56155 1 0 0 0 0
56156 1 0 0 0 0
57157 1 0 0 0 0
57158 1 0 0 0 0
58159 1 0 0 0 0
61160 1 6 0 0 0
62161 1 0 0 0 0
62162 1 0 0 0 0
63163 1 0 0 0 0
63164 1 0 0 0 0
64165 1 0 0 0 0
64166 1 0 0 0 0
65167 1 0 0 0 0
65168 1 0 0 0 0
66169 1 0 0 0 0
66170 1 0 0 0 0
67171 1 0 0 0 0
70172 1 6 0 0 0
71173 1 0 0 0 0
71174 1 0 0 0 0
72175 1 0 0 0 0
72176 1 0 0 0 0
73177 1 0 0 0 0
73178 1 0 0 0 0
74179 1 0 0 0 0
74180 1 0 0 0 0
75181 1 0 0 0 0
75182 1 0 0 0 0
76183 1 0 0 0 0
M END
> <DATABASE_ID>
NP0009835
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]1([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([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C54H105N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h39-45,70H,2-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/t39-,40+,41+,42-,43-,44+,45-/m1/s1
> <INCHI_KEY>
OGEUBMFDYZFRJF-LYASGPROSA-N
> <FORMULA>
C54H105N15O9
> <MOLECULAR_WEIGHT>
1108.53
> <EXACT_MASS>
1107.821970021
> <JCHEM_ACCEPTOR_COUNT>
16
> <JCHEM_ATOM_COUNT>
183
> <JCHEM_AVERAGE_POLARIZABILITY>
126.0788328874947
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
15
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R)-N-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}butyl]carbamoyl}methyl)-3-hydroxyhexadecanamide
> <ALOGPS_LOGP>
0.82
> <JCHEM_LOGP>
-1.2643003241296855
> <ALOGPS_LOGS>
-4.95
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA>
12.538205917303657
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.983047237485671
> <JCHEM_PKA_STRONGEST_BASIC>
11.101365377625017
> <JCHEM_POLAR_SURFACE_AREA>
421.5099999999999
> <JCHEM_REFRACTIVITY>
301.6811000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
39
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.26e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R)-N-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}butyl]carbamoyl}methyl)-3-hydroxyhexadecanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0009835 (Pax10)
RDKit 3D
183183 0 0 0 0 0 0 0 0999 V2000
20.7726 -2.7199 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0631 -1.7520 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1135 -0.9178 -1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3389 0.0907 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5036 -0.5532 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7132 0.4878 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8655 -0.0469 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8841 -1.0861 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9286 -0.6996 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0312 0.4399 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0801 0.4467 1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1426 -0.6813 2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2966 -1.0799 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4137 -0.1629 0.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7437 -0.9178 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4484 0.7050 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3977 0.1327 1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5737 -0.8764 2.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0765 0.7297 1.7936 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.3109 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6821 0.9620 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 0.7209 3.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 1.7404 1.1741 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2727 2.4428 0.7176 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5116 3.3215 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0484 2.6831 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 1.5758 -2.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1079 0.4334 -1.4610 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0558 -0.7910 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1765 -1.2940 -3.0107 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 -1.6793 -0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 1.7050 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 0.6872 1.4239 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1396 2.1122 -0.0251 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 1.4848 -0.0524 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6378 0.4428 -1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.6790 -2.2853 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9046 0.7748 -2.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5410 -0.5614 -1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9418 -0.3244 -1.5196 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0630 -1.0788 -1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9696 -0.4671 -2.5396 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3644 -2.4790 -1.4891 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.7711 -3.3455 -2.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9353 -2.9373 -3.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2539 -2.7698 -2.7944 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2813 -2.3862 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5905 -2.1631 -3.3726 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0072 -2.7172 -0.2382 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2191 -2.4428 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0110 -3.5028 0.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8524 -1.2591 0.9312 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1886 -1.5339 1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3041 -1.9889 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.7625 -0.9284 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2758 0.3064 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7079 1.2594 -0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.0672 -0.6680 2.0226 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6741 0.6495 2.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6537 1.1658 3.3388 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 1.5282 1.0546 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.4750 2.4748 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3297 3.4639 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1984 2.8855 -1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4222 2.0870 -1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2606 1.5648 -3.3106 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1467 2.3276 1.5637 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8597 2.5515 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7054 3.6580 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5528 1.9188 1.3866 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1628 1.4595 2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9464 0.4176 3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0009835 (Pax10)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 20.773 -2.720 -1.788 0.00 0.00 C+0 HETATM 2 C UNK 0 20.063 -1.752 -0.846 0.00 0.00 C+0 HETATM 3 C UNK 0 19.113 -0.918 -1.657 0.00 0.00 C+0 HETATM 4 C UNK 0 18.339 0.091 -0.864 0.00 0.00 C+0 HETATM 5 C UNK 0 17.504 -0.553 0.229 0.00 0.00 C+0 HETATM 6 C UNK 0 16.713 0.488 0.975 0.00 0.00 C+0 HETATM 7 C UNK 0 15.866 -0.047 2.075 0.00 0.00 C+0 HETATM 8 C UNK 0 14.884 -1.086 1.632 0.00 0.00 C+0 HETATM 9 C UNK 0 13.929 -0.700 0.577 0.00 0.00 C+0 HETATM 10 C UNK 0 13.031 0.440 0.792 0.00 0.00 C+0 HETATM 11 C UNK 0 12.080 0.447 1.917 0.00 0.00 C+0 HETATM 12 C UNK 0 11.143 -0.681 2.069 0.00 0.00 C+0 HETATM 13 C UNK 0 10.297 -1.080 0.937 0.00 0.00 C+0 HETATM 14 C UNK 0 9.414 -0.163 0.248 0.00 0.00 C+0 HETATM 15 O UNK 0 8.744 -0.918 -0.777 0.00 0.00 O+0 HETATM 16 C UNK 0 8.448 0.705 0.907 0.00 0.00 C+0 HETATM 17 C UNK 0 7.398 0.133 1.753 0.00 0.00 C+0 HETATM 18 O UNK 0 7.574 -0.876 2.468 0.00 0.00 O+0 HETATM 19 N UNK 0 6.077 0.730 1.794 0.00 0.00 N+0 HETATM 20 C UNK 0 5.000 0.311 2.611 0.00 0.00 C+0 HETATM 21 C UNK 0 3.682 0.962 2.300 0.00 0.00 C+0 HETATM 22 O UNK 0 2.786 0.721 3.192 0.00 0.00 O+0 HETATM 23 N UNK 0 3.409 1.740 1.174 0.00 0.00 N+0 HETATM 24 C UNK 0 2.273 2.443 0.718 0.00 0.00 C+0 HETATM 25 C UNK 0 2.512 3.321 -0.440 0.00 0.00 C+0 HETATM 26 C UNK 0 3.048 2.683 -1.670 0.00 0.00 C+0 HETATM 27 C UNK 0 2.276 1.576 -2.289 0.00 0.00 C+0 HETATM 28 N UNK 0 2.108 0.433 -1.461 0.00 0.00 N+0 HETATM 29 C UNK 0 2.056 -0.791 -1.672 0.00 0.00 C+0 HETATM 30 N UNK 0 2.176 -1.294 -3.011 0.00 0.00 N+0 HETATM 31 N UNK 0 1.860 -1.679 -0.578 0.00 0.00 N+0 HETATM 32 C UNK 0 0.963 1.705 0.715 0.00 0.00 C+0 HETATM 33 O UNK 0 0.896 0.687 1.424 0.00 0.00 O+0 HETATM 34 N UNK 0 -0.140 2.112 -0.025 0.00 0.00 N+0 HETATM 35 C UNK 0 -1.462 1.485 -0.052 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.638 0.443 -1.081 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.442 0.679 -2.285 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.905 0.775 -2.189 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.541 -0.561 -1.759 0.00 0.00 C+0 HETATM 40 N UNK 0 -5.942 -0.324 -1.520 0.00 0.00 N+0 HETATM 41 C UNK 0 -7.063 -1.079 -1.840 0.00 0.00 C+0 HETATM 42 O UNK 0 -7.970 -0.467 -2.540 0.00 0.00 O+0 HETATM 43 C UNK 0 -7.364 -2.479 -1.489 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.771 -3.345 -2.638 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.935 -2.937 -3.452 0.00 0.00 C+0 HETATM 46 C UNK 0 -10.254 -2.770 -2.794 0.00 0.00 C+0 HETATM 47 C UNK 0 -11.281 -2.386 -3.893 0.00 0.00 C+0 HETATM 48 N UNK 0 -12.591 -2.163 -3.373 0.00 0.00 N+0 HETATM 49 N UNK 0 -8.007 -2.717 -0.238 0.00 0.00 N+0 HETATM 50 C UNK 0 -9.219 -2.443 0.345 0.00 0.00 C+0 HETATM 51 O UNK 0 -10.011 -3.503 0.394 0.00 0.00 O+0 HETATM 52 C UNK 0 -9.852 -1.259 0.931 0.00 0.00 C+0 HETATM 53 C UNK 0 -11.189 -1.534 1.558 0.00 0.00 C+0 HETATM 54 C UNK 0 -12.304 -1.989 0.706 0.00 0.00 C+0 HETATM 55 C UNK 0 -12.762 -0.928 -0.311 0.00 0.00 C+0 HETATM 56 C UNK 0 -13.276 0.306 0.412 0.00 0.00 C+0 HETATM 57 N UNK 0 -13.708 1.259 -0.573 0.00 0.00 N+0 HETATM 58 N UNK 0 -9.067 -0.668 2.023 0.00 0.00 N+0 HETATM 59 C UNK 0 -8.674 0.650 2.165 0.00 0.00 C+0 HETATM 60 O UNK 0 -8.654 1.166 3.339 0.00 0.00 O+0 HETATM 61 C UNK 0 -8.266 1.528 1.055 0.00 0.00 C+0 HETATM 62 C UNK 0 -9.475 2.475 0.888 0.00 0.00 C+0 HETATM 63 C UNK 0 -9.330 3.464 -0.201 0.00 0.00 C+0 HETATM 64 C UNK 0 -9.198 2.886 -1.599 0.00 0.00 C+0 HETATM 65 C UNK 0 -10.422 2.087 -1.968 0.00 0.00 C+0 HETATM 66 N UNK 0 -10.261 1.565 -3.311 0.00 0.00 N+0 HETATM 67 N UNK 0 -7.147 2.328 1.564 0.00 0.00 N+0 HETATM 68 C UNK 0 -5.860 2.551 1.192 0.00 0.00 C+0 HETATM 69 O UNK 0 -5.705 3.658 0.448 0.00 0.00 O+0 HETATM 70 C UNK 0 -4.553 1.919 1.387 0.00 0.00 C+0 HETATM 71 C UNK 0 -4.163 1.460 2.743 0.00 0.00 C+0 HETATM 72 C UNK 0 -4.946 0.418 3.416 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.991 -0.892 2.649 0.00 0.00 C+0 HETATM 74 C UNK 0 -5.760 -1.893 3.489 0.00 0.00 C+0 HETATM 75 N UNK 0 -5.088 -2.127 4.786 0.00 0.00 N+0 HETATM 76 N UNK 0 -3.501 2.822 0.873 0.00 0.00 N+0 HETATM 77 C UNK 0 -2.485 2.555 -0.038 0.00 0.00 C+0 HETATM 78 O UNK 0 -2.443 3.403 -1.041 0.00 0.00 O+0 HETATM 79 H UNK 0 19.985 -3.369 -2.249 0.00 0.00 H+0 HETATM 80 H UNK 0 21.494 -3.312 -1.191 0.00 0.00 H+0 HETATM 81 H UNK 0 21.292 -2.148 -2.598 0.00 0.00 H+0 HETATM 82 H UNK 0 20.817 -1.168 -0.308 0.00 0.00 H+0 HETATM 83 H UNK 0 19.458 -2.337 -0.126 0.00 0.00 H+0 HETATM 84 H UNK 0 18.407 -1.556 -2.244 0.00 0.00 H+0 HETATM 85 H UNK 0 19.721 -0.340 -2.412 0.00 0.00 H+0 HETATM 86 H UNK 0 19.051 0.796 -0.392 0.00 0.00 H+0 HETATM 87 H UNK 0 17.717 0.690 -1.564 0.00 0.00 H+0 HETATM 88 H UNK 0 18.191 -1.110 0.903 0.00 0.00 H+0 HETATM 89 H UNK 0 16.804 -1.256 -0.253 0.00 0.00 H+0 HETATM 90 H UNK 0 17.478 1.159 1.462 0.00 0.00 H+0 HETATM 91 H UNK 0 16.160 1.138 0.268 0.00 0.00 H+0 HETATM 92 H UNK 0 15.393 0.750 2.691 0.00 0.00 H+0 HETATM 93 H UNK 0 16.575 -0.579 2.784 0.00 0.00 H+0 HETATM 94 H UNK 0 14.373 -1.462 2.547 0.00 0.00 H+0 HETATM 95 H UNK 0 15.480 -1.952 1.260 0.00 0.00 H+0 HETATM 96 H UNK 0 14.528 -0.520 -0.375 0.00 0.00 H+0 HETATM 97 H UNK 0 13.341 -1.629 0.307 0.00 0.00 H+0 HETATM 98 H UNK 0 12.511 0.670 -0.184 0.00 0.00 H+0 HETATM 99 H UNK 0 13.667 1.384 0.928 0.00 0.00 H+0 HETATM 100 H UNK 0 12.698 0.485 2.869 0.00 0.00 H+0 HETATM 101 H UNK 0 11.561 1.456 1.907 0.00 0.00 H+0 HETATM 102 H UNK 0 10.499 -0.445 2.967 0.00 0.00 H+0 HETATM 103 H UNK 0 11.757 -1.581 2.356 0.00 0.00 H+0 HETATM 104 H UNK 0 10.941 -1.605 0.154 0.00 0.00 H+0 HETATM 105 H UNK 0 9.661 -1.956 1.316 0.00 0.00 H+0 HETATM 106 H UNK 0 10.136 0.514 -0.389 0.00 0.00 H+0 HETATM 107 H UNK 0 8.428 -0.303 -1.476 0.00 0.00 H+0 HETATM 108 H UNK 0 9.022 1.508 1.479 0.00 0.00 H+0 HETATM 109 H UNK 0 7.931 1.335 0.121 0.00 0.00 H+0 HETATM 110 H UNK 0 5.967 1.555 1.158 0.00 0.00 H+0 HETATM 111 H UNK 0 5.227 0.403 3.701 0.00 0.00 H+0 HETATM 112 H UNK 0 4.824 -0.789 2.471 0.00 0.00 H+0 HETATM 113 H UNK 0 4.279 1.791 0.502 0.00 0.00 H+0 HETATM 114 H UNK 0 2.042 3.166 1.609 0.00 0.00 H+0 HETATM 115 H UNK 0 1.631 3.926 -0.671 0.00 0.00 H+0 HETATM 116 H UNK 0 3.300 4.069 -0.127 0.00 0.00 H+0 HETATM 117 H UNK 0 4.098 2.315 -1.550 0.00 0.00 H+0 HETATM 118 H UNK 0 3.124 3.486 -2.431 0.00 0.00 H+0 HETATM 119 H UNK 0 1.336 1.923 -2.783 0.00 0.00 H+0 HETATM 120 H UNK 0 2.898 1.236 -3.176 0.00 0.00 H+0 HETATM 121 H UNK 0 3.099 -1.481 -3.399 0.00 0.00 H+0 HETATM 122 H UNK 0 1.266 -1.447 -3.521 0.00 0.00 H+0 HETATM 123 H UNK 0 1.333 -2.567 -0.743 0.00 0.00 H+0 HETATM 124 H UNK 0 2.220 -1.466 0.367 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.065 2.945 -0.644 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.478 0.939 0.926 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.001 -0.509 -0.600 0.00 0.00 H+0 HETATM 128 H UNK 0 -0.619 0.094 -1.476 0.00 0.00 H+0 HETATM 129 H UNK 0 -2.249 -0.235 -2.946 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.010 1.493 -2.950 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.297 1.056 -3.208 0.00 0.00 H+0 HETATM 132 H UNK 0 -4.324 1.529 -1.507 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.997 -1.003 -0.925 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.420 -1.226 -2.625 0.00 0.00 H+0 HETATM 135 H UNK 0 -6.130 0.604 -1.017 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.227 -2.876 -1.353 0.00 0.00 H+0 HETATM 137 H UNK 0 -6.918 -3.495 -3.378 0.00 0.00 H+0 HETATM 138 H UNK 0 -7.919 -4.416 -2.268 0.00 0.00 H+0 HETATM 139 H UNK 0 -8.660 -2.067 -4.101 0.00 0.00 H+0 HETATM 140 H UNK 0 -9.057 -3.772 -4.228 0.00 0.00 H+0 HETATM 141 H UNK 0 -10.241 -1.860 -2.156 0.00 0.00 H+0 HETATM 142 H UNK 0 -10.659 -3.668 -2.328 0.00 0.00 H+0 HETATM 143 H UNK 0 -11.347 -3.289 -4.571 0.00 0.00 H+0 HETATM 144 H UNK 0 -10.929 -1.561 -4.499 0.00 0.00 H+0 HETATM 145 H UNK 0 -12.820 -1.186 -3.180 0.00 0.00 H+0 HETATM 146 H UNK 0 -12.941 -2.873 -2.733 0.00 0.00 H+0 HETATM 147 H UNK 0 -7.326 -3.320 0.426 0.00 0.00 H+0 HETATM 148 H UNK 0 -10.019 -0.451 0.198 0.00 0.00 H+0 HETATM 149 H UNK 0 -11.040 -2.319 2.377 0.00 0.00 H+0 HETATM 150 H UNK 0 -11.510 -0.636 2.187 0.00 0.00 H+0 HETATM 151 H UNK 0 -13.215 -2.185 1.337 0.00 0.00 H+0 HETATM 152 H UNK 0 -12.070 -2.863 0.077 0.00 0.00 H+0 HETATM 153 H UNK 0 -13.593 -1.387 -0.871 0.00 0.00 H+0 HETATM 154 H UNK 0 -11.953 -0.697 -1.012 0.00 0.00 H+0 HETATM 155 H UNK 0 -14.177 -0.011 0.986 0.00 0.00 H+0 HETATM 156 H UNK 0 -12.562 0.713 1.119 0.00 0.00 H+0 HETATM 157 H UNK 0 -13.043 2.066 -0.579 0.00 0.00 H+0 HETATM 158 H UNK 0 -14.669 1.624 -0.360 0.00 0.00 H+0 HETATM 159 H UNK 0 -8.821 -1.400 2.767 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.132 1.051 0.110 0.00 0.00 H+0 HETATM 161 H UNK 0 -10.336 1.825 0.670 0.00 0.00 H+0 HETATM 162 H UNK 0 -9.639 3.018 1.834 0.00 0.00 H+0 HETATM 163 H UNK 0 -8.427 4.086 -0.054 0.00 0.00 H+0 HETATM 164 H UNK 0 -10.268 4.082 -0.237 0.00 0.00 H+0 HETATM 165 H UNK 0 -9.209 3.772 -2.278 0.00 0.00 H+0 HETATM 166 H UNK 0 -8.247 2.387 -1.781 0.00 0.00 H+0 HETATM 167 H UNK 0 -11.329 2.721 -2.003 0.00 0.00 H+0 HETATM 168 H UNK 0 -10.639 1.275 -1.264 0.00 0.00 H+0 HETATM 169 H UNK 0 -10.733 0.635 -3.412 0.00 0.00 H+0 HETATM 170 H UNK 0 -9.315 1.630 -3.685 0.00 0.00 H+0 HETATM 171 H UNK 0 -7.496 2.882 2.442 0.00 0.00 H+0 HETATM 172 H UNK 0 -4.590 0.975 0.759 0.00 0.00 H+0 HETATM 173 H UNK 0 -3.980 2.297 3.459 0.00 0.00 H+0 HETATM 174 H UNK 0 -3.113 1.034 2.612 0.00 0.00 H+0 HETATM 175 H UNK 0 -5.991 0.731 3.635 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.476 0.234 4.429 0.00 0.00 H+0 HETATM 177 H UNK 0 -4.040 -1.274 2.313 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.666 -0.668 1.772 0.00 0.00 H+0 HETATM 179 H UNK 0 -6.765 -1.517 3.760 0.00 0.00 H+0 HETATM 180 H UNK 0 -5.882 -2.863 2.982 0.00 0.00 H+0 HETATM 181 H UNK 0 -4.068 -2.009 4.575 0.00 0.00 H+0 HETATM 182 H UNK 0 -5.307 -3.122 5.073 0.00 0.00 H+0 HETATM 183 H UNK 0 -3.587 3.799 1.305 0.00 0.00 H+0 CONECT 1 2 79 80 81 CONECT 2 1 3 82 83 CONECT 3 2 4 84 85 CONECT 4 3 5 86 87 CONECT 5 4 6 88 89 CONECT 6 5 7 90 91 CONECT 7 6 8 92 93 CONECT 8 7 9 94 95 CONECT 9 8 10 96 97 CONECT 10 9 11 98 99 CONECT 11 10 12 100 101 CONECT 12 11 13 102 103 CONECT 13 12 14 104 105 CONECT 14 13 15 16 106 CONECT 15 14 107 CONECT 16 14 17 108 109 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 110 CONECT 20 19 21 111 112 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 113 CONECT 24 23 25 32 114 CONECT 25 24 26 115 116 CONECT 26 25 27 117 118 CONECT 27 26 28 119 120 CONECT 28 27 29 CONECT 29 28 30 31 CONECT 30 29 121 122 CONECT 31 29 123 124 CONECT 32 24 33 34 CONECT 33 32 CONECT 34 32 35 125 CONECT 35 34 36 77 126 CONECT 36 35 37 127 128 CONECT 37 36 38 129 130 CONECT 38 37 39 131 132 CONECT 39 38 40 133 134 CONECT 40 39 41 135 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 49 136 CONECT 44 43 45 137 138 CONECT 45 44 46 139 140 CONECT 46 45 47 141 142 CONECT 47 46 48 143 144 CONECT 48 47 145 146 CONECT 49 43 50 147 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 58 148 CONECT 53 52 54 149 150 CONECT 54 53 55 151 152 CONECT 55 54 56 153 154 CONECT 56 55 57 155 156 CONECT 57 56 157 158 CONECT 58 52 59 159 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 67 160 CONECT 62 61 63 161 162 CONECT 63 62 64 163 164 CONECT 64 63 65 165 166 CONECT 65 64 66 167 168 CONECT 66 65 169 170 CONECT 67 61 68 171 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 71 76 172 CONECT 71 70 72 173 174 CONECT 72 71 73 175 176 CONECT 73 72 74 177 178 CONECT 74 73 75 179 180 CONECT 75 74 181 182 CONECT 76 70 77 183 CONECT 77 76 78 35 CONECT 78 77 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 2 CONECT 84 3 CONECT 85 3 CONECT 86 4 CONECT 87 4 CONECT 88 5 CONECT 89 5 CONECT 90 6 CONECT 91 6 CONECT 92 7 CONECT 93 7 CONECT 94 8 CONECT 95 8 CONECT 96 9 CONECT 97 9 CONECT 98 10 CONECT 99 10 CONECT 100 11 CONECT 101 11 CONECT 102 12 CONECT 103 12 CONECT 104 13 CONECT 105 13 CONECT 106 14 CONECT 107 15 CONECT 108 16 CONECT 109 16 CONECT 110 19 CONECT 111 20 CONECT 112 20 CONECT 113 23 CONECT 114 24 CONECT 115 25 CONECT 116 25 CONECT 117 26 CONECT 118 26 CONECT 119 27 CONECT 120 27 CONECT 121 30 CONECT 122 30 CONECT 123 31 CONECT 124 31 CONECT 125 34 CONECT 126 35 CONECT 127 36 CONECT 128 36 CONECT 129 37 CONECT 130 37 CONECT 131 38 CONECT 132 38 CONECT 133 39 CONECT 134 39 CONECT 135 40 CONECT 136 43 CONECT 137 44 CONECT 138 44 CONECT 139 45 CONECT 140 45 CONECT 141 46 CONECT 142 46 CONECT 143 47 CONECT 144 47 CONECT 145 48 CONECT 146 48 CONECT 147 49 CONECT 148 52 CONECT 149 53 CONECT 150 53 CONECT 151 54 CONECT 152 54 CONECT 153 55 CONECT 154 55 CONECT 155 56 CONECT 156 56 CONECT 157 57 CONECT 158 57 CONECT 159 58 CONECT 160 61 CONECT 161 62 CONECT 162 62 CONECT 163 63 CONECT 164 63 CONECT 165 64 CONECT 166 64 CONECT 167 65 CONECT 168 65 CONECT 169 66 CONECT 170 66 CONECT 171 67 CONECT 172 70 CONECT 173 71 CONECT 174 71 CONECT 175 72 CONECT 176 72 CONECT 177 73 CONECT 178 73 CONECT 179 74 CONECT 180 74 CONECT 181 75 CONECT 182 75 CONECT 183 76 MASTER 0 0 0 0 0 0 0 0 183 0 366 0 END SMILES for NP0009835 (Pax10)[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]1([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([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0009835 (Pax10)InChI=1S/C54H105N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h39-45,70H,2-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 3D Structure for NP0009835 (Pax10) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C54H105N15O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1108.5300 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1107.82197 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R)-N-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}butyl]carbamoyl}methyl)-3-hydroxyhexadecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R)-N-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}butyl]carbamoyl}methyl)-3-hydroxyhexadecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C54H105N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h39-45,70H,2-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | OGEUBMFDYZFRJF-LYASGPROSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Carboxylic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Amino acids, peptides, and analogues | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligopeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA013413 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78439765 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 53382323 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
