File:Biotin.gif
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Biotin.gif (600 × 450 pixels, file size: 4.51 MB, MIME type: image/gif, looped, 180 frames, 9.0 s)
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Summary
| Description |
English: 3D space-filling model of Biotin rotating about an axis (GIF)
Tiếng Việt: Mô hình không gian 3D của Biotin quay quanh trục (GIF) |
| Date | |
| Source | Own work |
| Author | Geoopt1234 |
InChI and InChIKey
InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Color legend
Gray/Grey: Carbon
White: Hydrogen
Red: Oxygen
Blue: Nitrogen
Yellow: Sulfur
Program/Website Credit and Version
- The InChI and InChIKey written here was made at InChI Web Demo
- This gif was made in ezgif.com
- The visualization was made in Jmol-16.3.33
- The starting configuration of the molecule (Biotin.sfd) was downloaded from PubChem
- The program that was used to make correct geometry of Biotin was xtb: 6.7.1pre (5071a88)
Technical information
g98.out
Frequencies -- 3346.1464 3508.7149 3521.0115 Red. masses -- 1.8513 1.8595 1.8667 Frc consts -- 0.0000 0.0000 0.0000 IR Inten -- 180.0352 74.5730 45.7747 Raman Activ -- 0.0000 0.0000 0.0000 Depolar -- 0.0000 0.0000 0.0000 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 2 8 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 3 8 -0.20 0.04 -0.11 -0.00 0.00 -0.00 -0.00 0.00 -0.00 4 8 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 5 7 0.00 -0.00 0.00 -0.03 0.01 -0.01 -0.22 0.10 -0.08 6 7 -0.00 0.00 -0.00 -0.24 -0.02 0.07 0.04 0.00 -0.01 7 6 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 8 6 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 9 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 10 6 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 11 6 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 12 6 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 13 6 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 14 6 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 15 6 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 16 6 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 17 1 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 18 1 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 19 1 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 20 1 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 21 1 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 22 1 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 23 1 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 24 1 -0.00 0.00 -0.00 0.12 -0.05 0.04 0.84 -0.36 0.29 25 1 -0.00 0.00 0.00 0.92 0.07 -0.27 -0.12 -0.01 0.04 26 1 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 27 1 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 28 1 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 29 1 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 30 1 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 31 1 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 32 1 0.85 -0.18 0.43 0.00 -0.00 0.00 0.00 -0.00 0.00
Biotinopt.sdf
energy: -50.958455157128 gnorm: 0.000049819970 xtb: 6.7.1pre (5071a88)
10302510063D
32 33 0 0 0 999 V2000
-2.4224 1.8741 1.0610 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0647 -2.6029 1.0067 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9856 -0.5301 -0.8084 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1825 -0.2133 1.2432 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7075 -1.1545 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8704 -0.8553 -0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 0.0975 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3528 0.3173 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1628 1.2892 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7081 1.6179 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1554 0.9960 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2666 0.6181 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8968 -1.6238 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5867 0.3821 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7062 0.0174 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0102 -0.2462 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 0.0037 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7283 0.3586 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0280 2.1032 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6922 2.4681 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6724 1.5627 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 1.8926 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0105 0.2046 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8321 -1.5321 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8296 -0.9277 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 -0.2847 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3939 1.4242 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8712 1.2785 0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4726 -0.4209 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8757 0.8183 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4540 -0.8808 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8370 -0.7054 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 13 2 0 0 0 0
3 16 1 0 0 0 0
3 32 1 0 0 0 0
4 16 2 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 13 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 17 1 0 0 0 0
8 10 1 0 0 0 0
8 18 1 0 0 0 0
9 11 1 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
12 14 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
14 15 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
15 16 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
M END
$$$$
Licensing
I, the copyright holder of this work, hereby publish it under the following license:
 
|
This file is made available under the Creative Commons CC0 1.0 Universal Public Domain Dedication. |
| The person who associated a work with this deed has dedicated the work to the public domain by waiving all of their rights to the work worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. You can copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission.
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File history
Click on a date/time to view the file as it appeared at that time.
| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 03:39, 30 October 2025 | | 600 × 450 (4.51 MB) | wikimediacommons>Geoopt1234 | Uploaded own work with UploadWizard |
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