Showing metabocard for Dolichol-14 (HMDB0005181)
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| Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2006-05-22 14:17:29 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2022-03-07 02:49:25 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0005181 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Dolichol-14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Dolichols are polyisoprenic molecule ubiquitously present in the lipid fraction of animal and plant tissues, discovered 40 years ago during experiments on the biosynthesis of ubiquinone. The molecular structure of dolichol comprises a sequence of unsaturated isoprenic units bearing a primary terminal hydroxyl group. The length of dolichyl chains depends on the species of the organism from which they are isolated. Mammalian dolichol generally is made up of 16 to 23 unsaturated isoprene units, and the terminal hydroxyl group may exist either free or esterified with fatty acids, phosphoric acid, and pyrophosphoric acid. In biological membranes, this linear polyisoprenoid compound may be located between the two leaflets of the lipid bilayer, close to the free end of the phospholipid fatty acid molecules. Metabolism and function of dolichol were largely unknown until recently. Synthesis of dolichol by the mevalonate pathway was demonstrated in vitro and in vivo in many tissues. The isoprenoid pyrophosphate intermediates are shared by the cholesterol, dolichol, and ubiquinone pathways, and treatment with drugs that block hydroxymethyl glutaryl coenzyme A reductase may significantly decrease their plasma and tissue levels. In humans, there is no apparent positive correlation between serum dolichol and tissue dolichol and age. In view of the total content of the body, half-life of the total body dolichol, and dolichol content in the extracellular space, it was concluded that the dolichol in tissues probably derives from biosynthesis in those tissues and that relocation of dolichol via circulation cannot be prominent in vivo. The levels of dolichol in human serum have apparently no correlation to age or serum total cholesterol, and exhibit a linear correlation to high-density lipoprotein cholesterols which may reflect the fact that the dolichols are associated with the high-density lipoprotein fraction. No enzymic pathways for dolichol degradation were described, but no case of dolichol-storage disease was reported. Shrinkage of tissue because of increased lysosomal degradation in the process of atrophy does not affect the dolichol content and concentration increases. Small quantities of dolichol that may be excreted into the urine at least in part is derived from the lysosomes of the excretory organ, and serum dolichol levels may be elevated in chronic cholestatic liver diseases. Recent evidence shows that phagocytosis may cause the degradation and disposal of the engulfed dolichol, possibly because of nonenzymatic free radical mediated decomposition. By means of a 1H-nuclear magnetic resonance (NMR) analytical method, the hypothesis was substantiated that dolichol may act as a free-radical scavenger in the cell membranes and protect polyunsaturated fatty acids from peroxidation, and that it may undergo decomposition in the process. (PMID 15741281 ). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0005181 (Dolichol-14)
Mrv0541 02231220212D
71 70 0 0 0 0 999 V2000
1.0782 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5071 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2216 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9360 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3650 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0795 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7940 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5084 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5084 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2229 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9374 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6518 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3664 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3664 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0808 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5098 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2242 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2242 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9387 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6532 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3677 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0822 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0822 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7967 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5111 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2256 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9401 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9401 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6546 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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21.0835 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7980 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7980 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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23.2270 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9415 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6559 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6559 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3704 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.0849 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.7993 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.5138 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.5138 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.2283 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.9428 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.6573 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.3717 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.3717 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.0862 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.8007 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.5152 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2297 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2297 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.9442 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.6586 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.3731 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.0876 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.0876 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.8020 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.5166 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.2310 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9455 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9455 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
39.6600 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.3744 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
41.0889 -11.8187 0.0000 O 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
2 4 2 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
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
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12 13 1 0 0 0 0
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37 39 2 0 0 0 0
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50 51 1 0 0 0 0
51 52 1 0 0 0 0
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52 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
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57 58 1 0 0 0 0
57 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 2 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
M END
3D MOL for HMDB0005181 (Dolichol-14)HMDB0005181
RDKit 3D
Dolichol-14
185184 0 0 0 0 0 0 0 0999 V2000
-22.8896 -1.9775 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.7769 -1.5679 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.7378 -2.0218 -2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7937 -0.7836 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.6809 -0.3723 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.3215 -0.8672 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8705 -0.4213 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5204 -0.8149 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7691 0.3585 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.1942 0.8842 1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2352 2.3722 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5309 3.0943 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9612 3.0911 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4698 3.8578 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7099 4.6090 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2602 4.2249 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0330 2.7960 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5770 1.6855 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3142 2.4648 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0182 1.1069 -1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5172 0.8749 -1.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9059 1.0032 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9489 2.2445 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.1622 0.0034 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2571 -0.7243 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8461 0.3654 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0464 0.1533 -2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 1.5333 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0430 3.1075 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0249 2.0015 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5196 1.3702 -1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4553 1.5893 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.4966 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8836 -0.7116 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9503 -1.7488 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5728 -3.0512 2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1802 -1.5665 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2119 -2.6046 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8116 -2.9984 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8094 -4.0507 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3623 -5.3138 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0792 -3.8384 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1399 -4.8616 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1349 -4.3316 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.8606 -3.5137 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0849 -2.2423 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0269 -3.3481 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3230 -2.0817 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7546 -6.2132 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -5.3043 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2579 -5.3596 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4230 -2.9081 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7461 -5.8434 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6733 -4.9841 -1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9297 -5.1000 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6535 -4.1841 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1976 -2.3873 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5959 -4.1229 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6937 -2.8775 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1747 -1.9209 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0090 -0.9208 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7074 0.0451 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1434 -1.0832 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8978 -0.0328 2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4102 2.1673 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7612 2.5753 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8092 3.0792 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0362 -0.0314 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
20.0277 2.3842 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6848 2.9176 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2979 1.3740 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6681 0.7675 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8114 4.8783 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5651 4.3279 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2665 4.1124 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
22.7090 1.6161 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5366 4.5688 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
23.8533 3.8457 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
24.4550 2.5426 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 2 3
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
7 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
12 14 2 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
17 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 2 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
32 34 2 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
47 49 2 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 2 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
57 59 2 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 2 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
67 69 2 0
69 70 1 0
70 71 1 0
1 72 1 0
1 73 1 0
1 74 1 0
3 75 1 0
3 76 1 0
3 77 1 0
4 78 1 0
5 79 1 0
5 80 1 0
6 81 1 0
6 82 1 0
8 83 1 0
8 84 1 0
8 85 1 0
9 86 1 0
10 87 1 0
10 88 1 0
11 89 1 0
11 90 1 0
13 91 1 0
13 92 1 0
13 93 1 0
14 94 1 0
15 95 1 0
15 96 1 0
16 97 1 0
16 98 1 0
18 99 1 0
18100 1 0
18101 1 0
19102 1 0
20103 1 0
20104 1 0
21105 1 0
21106 1 0
23107 1 0
23108 1 0
23109 1 0
24110 1 0
25111 1 0
25112 1 0
26113 1 0
26114 1 0
28115 1 0
28116 1 0
28117 1 0
29118 1 0
30119 1 0
30120 1 0
31121 1 0
31122 1 0
33123 1 0
33124 1 0
33125 1 0
34126 1 0
35127 1 0
35128 1 0
36129 1 0
36130 1 0
38131 1 0
38132 1 0
38133 1 0
39134 1 0
40135 1 0
40136 1 0
41137 1 0
41138 1 0
43139 1 0
43140 1 0
43141 1 0
44142 1 0
45143 1 0
45144 1 0
46145 1 0
46146 1 0
48147 1 0
48148 1 0
48149 1 0
49150 1 0
50151 1 0
50152 1 0
51153 1 0
51154 1 0
53155 1 0
53156 1 0
53157 1 0
54158 1 0
55159 1 0
55160 1 0
56161 1 0
56162 1 0
58163 1 0
58164 1 0
58165 1 0
59166 1 0
60167 1 0
60168 1 0
61169 1 0
61170 1 0
63171 1 0
63172 1 0
63173 1 0
64174 1 0
65175 1 0
65176 1 0
66177 1 0
66178 1 0
68179 1 0
68180 1 0
68181 1 0
69182 1 0
70183 1 0
70184 1 0
71185 1 0
M END
3D SDF for HMDB0005181 (Dolichol-14)
Mrv0541 02231220212D
71 70 0 0 0 0 999 V2000
1.0782 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5071 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2216 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9360 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3650 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0795 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7940 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5084 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5084 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2229 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9374 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6518 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3664 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3664 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0808 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5098 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2242 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2242 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9387 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6532 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3677 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0822 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0822 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7967 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5111 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2256 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9401 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9401 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6546 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3691 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0835 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7980 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7980 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5125 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2270 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9415 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6559 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6559 -13.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3704 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.0849 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.7993 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.5138 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.5138 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.2283 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.9428 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.6573 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.3717 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.3717 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.0862 -11.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.8007 -12.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.5152 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2297 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2297 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.9442 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.6586 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.3731 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.0876 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.0876 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.8020 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.5166 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.2310 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9455 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9455 -13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
39.6600 -11.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.3744 -12.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
41.0889 -11.8187 0.0000 O 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
2 4 2 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
7 9 2 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
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 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
27 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 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
37 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 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
47 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 2 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
57 58 1 0 0 0 0
57 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 2 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0005181
> <DATABASE_NAME>
hmdb
> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO
> <INCHI_IDENTIFIER>
InChI=1S/C70H114O/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-71/h29,31,33,35,37,39,41,43,45,47,49,51,53,55,71H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3/b58-31+,59-33+,60-35+,61-37+,62-39+,63-41+,64-43+,65-45+,66-47+,67-49+,68-51+,69-53+,70-55+
> <INCHI_KEY>
DLNRMPLOFNVUTQ-WIKVCOJLSA-N
> <FORMULA>
C70H114O
> <MOLECULAR_WEIGHT>
971.6536
> <EXACT_MASS>
970.88696827
> <JCHEM_ACCEPTOR_COUNT>
1
> <JCHEM_AVERAGE_POLARIZABILITY>
134.3239332617016
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
1
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol
> <ALOGPS_LOGP>
9.77
> <JCHEM_LOGP>
22.418954596
> <ALOGPS_LOGS>
-6.64
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA_STRONGEST_ACIDIC>
16.33002421872553
> <JCHEM_PKA_STRONGEST_BASIC>
-2.2170474067294528
> <JCHEM_POLAR_SURFACE_AREA>
20.23
> <JCHEM_REFRACTIVITY>
336.81329999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
40
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.22e-04 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0005181 (Dolichol-14)HMDB0005181
RDKit 3D
Dolichol-14
185184 0 0 0 0 0 0 0 0999 V2000
-22.8896 -1.9775 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.7769 -1.5679 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.7378 -2.0218 -2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7937 -0.7836 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.6809 -0.3723 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.3215 -0.8672 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8705 -0.4213 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5204 -0.8149 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7691 0.3585 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.1942 0.8842 1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2352 2.3722 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5309 3.0943 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9612 3.0911 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4698 3.8578 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7099 4.6090 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2602 4.2249 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0330 2.7960 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5770 1.6855 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3142 2.4648 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0182 1.1069 -1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5172 0.8749 -1.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9059 1.0032 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9489 2.2445 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2530 -0.0547 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6381 0.0402 1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1622 0.0034 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4779 -1.1994 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5827 -1.6498 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7421 -1.8971 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9930 -3.1211 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 -2.9354 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8586 -1.8763 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3232 -0.4659 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8060 -2.1075 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1585 -1.0438 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 -0.7243 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8461 0.3654 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0464 0.1533 -2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 1.5333 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 2.6343 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0430 3.1075 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0249 2.0015 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5196 1.3702 -1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4553 1.5893 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.4966 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8836 -0.7116 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9503 -1.7488 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5728 -3.0512 2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1802 -1.5665 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2119 -2.6046 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8116 -2.9984 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8094 -4.0507 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3623 -5.3138 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0792 -3.8384 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1399 -4.8616 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1349 -4.3316 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8277 -3.0938 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6287 -3.1194 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7560 -1.9641 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4572 -0.7550 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4465 -0.2533 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1758 0.9614 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5174 2.2365 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4970 0.8850 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3062 2.0545 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0656 1.6398 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9229 2.7494 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3637 4.0659 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2294 2.5577 -1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1101 3.6456 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
23.8026 3.2602 -2.7076 O 0 0 0 0 0 0 0 0 0 0 0 0
-23.8311 -2.0853 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.0427 -1.2417 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.6970 -2.9600 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.7338 -2.4910 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.9475 -1.1895 -3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.4726 -2.8274 -2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.9078 -0.4821 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9401 -0.6291 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6472 0.7509 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3598 -1.9988 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6284 -0.5059 -1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1343 -0.0012 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.7778 -1.1884 2.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1520 -1.7232 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2843 0.5656 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6204 0.4227 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1026 0.5821 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8591 2.7194 2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3174 2.6571 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3290 2.5161 -1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0190 2.7111 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0359 4.1537 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1870 3.9042 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7312 5.6892 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1007 4.5311 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7184 4.8633 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8090 4.4352 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8105 0.8837 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4476 1.2390 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9325 1.9781 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9237 3.2918 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3730 0.9296 -2.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5330 0.3203 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2877 -0.1388 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1109 1.6173 -2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1778 3.1211 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8733 2.4455 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6138 2.2409 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2118 -0.9528 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0092 -0.8167 1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0107 0.9386 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7825 0.9223 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8396 0.2329 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8987 -0.7802 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5973 -1.9520 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3424 -2.4327 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6950 -1.5366 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3246 -3.9254 1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1781 -3.4746 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9526 -3.8909 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3946 -2.7259 2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9248 -0.1542 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9015 -0.2810 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4188 0.2133 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4504 -3.1219 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 -0.1371 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0179 -1.4507 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9139 -1.6049 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 -0.4526 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6042 -0.8418 -2.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1101 0.1060 -2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4808 0.8925 -3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0533 1.6991 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9709 2.3092 -2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0599 3.4856 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8535 3.5881 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5219 3.8904 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 1.8159 -2.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3208 0.2763 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6200 1.4952 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0540 2.0961 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2812 0.8890 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7417 0.1965 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9432 -1.0739 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6698 -0.4061 2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5613 -3.8687 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5634 -2.9715 2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2616 -3.2802 2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3985 -0.6181 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8606 -3.5137 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0849 -2.2423 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0269 -3.3481 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3230 -2.0817 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7546 -6.2132 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -5.3043 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2579 -5.3596 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4230 -2.9081 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7461 -5.8434 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6733 -4.9841 -1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9297 -5.1000 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6535 -4.1841 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1976 -2.3873 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5959 -4.1229 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6937 -2.8775 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1747 -1.9209 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0090 -0.9208 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7074 0.0451 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1434 -1.0832 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8978 -0.0328 2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4102 2.1673 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7612 2.5753 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8092 3.0792 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0362 -0.0314 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
20.0277 2.3842 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6848 2.9176 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2979 1.3740 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6681 0.7675 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8114 4.8783 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5651 4.3279 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2665 4.1124 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
22.7090 1.6161 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5366 4.5688 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
23.8533 3.8457 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
24.4550 2.5426 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 2 3
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
7 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
12 14 2 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
17 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 2 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
32 34 2 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
47 49 2 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 2 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
57 59 2 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 2 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
67 69 2 0
69 70 1 0
70 71 1 0
1 72 1 0
1 73 1 0
1 74 1 0
3 75 1 0
3 76 1 0
3 77 1 0
4 78 1 0
5 79 1 0
5 80 1 0
6 81 1 0
6 82 1 0
8 83 1 0
8 84 1 0
8 85 1 0
9 86 1 0
10 87 1 0
10 88 1 0
11 89 1 0
11 90 1 0
13 91 1 0
13 92 1 0
13 93 1 0
14 94 1 0
15 95 1 0
15 96 1 0
16 97 1 0
16 98 1 0
18 99 1 0
18100 1 0
18101 1 0
19102 1 0
20103 1 0
20104 1 0
21105 1 0
21106 1 0
23107 1 0
23108 1 0
23109 1 0
24110 1 0
25111 1 0
25112 1 0
26113 1 0
26114 1 0
28115 1 0
28116 1 0
28117 1 0
29118 1 0
30119 1 0
30120 1 0
31121 1 0
31122 1 0
33123 1 0
33124 1 0
33125 1 0
34126 1 0
35127 1 0
35128 1 0
36129 1 0
36130 1 0
38131 1 0
38132 1 0
38133 1 0
39134 1 0
40135 1 0
40136 1 0
41137 1 0
41138 1 0
43139 1 0
43140 1 0
43141 1 0
44142 1 0
45143 1 0
45144 1 0
46145 1 0
46146 1 0
48147 1 0
48148 1 0
48149 1 0
49150 1 0
50151 1 0
50152 1 0
51153 1 0
51154 1 0
53155 1 0
53156 1 0
53157 1 0
54158 1 0
55159 1 0
55160 1 0
56161 1 0
56162 1 0
58163 1 0
58164 1 0
58165 1 0
59166 1 0
60167 1 0
60168 1 0
61169 1 0
61170 1 0
63171 1 0
63172 1 0
63173 1 0
64174 1 0
65175 1 0
65176 1 0
66177 1 0
66178 1 0
68179 1 0
68180 1 0
68181 1 0
69182 1 0
70183 1 0
70184 1 0
71185 1 0
M END
PDB for HMDB0005181 (Dolichol-14)HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 2.013 -22.062 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 3.346 -22.832 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 3.346 -24.372 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.680 -22.062 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.014 -22.832 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 7.347 -22.062 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 8.681 -22.832 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 8.681 -24.372 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 10.015 -22.062 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 11.348 -22.832 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 12.682 -22.062 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 14.016 -22.832 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 14.016 -24.372 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 15.349 -22.062 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 16.683 -22.832 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 18.017 -22.061 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 19.351 -22.832 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 19.351 -24.372 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 20.684 -22.061 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 22.018 -22.831 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 23.352 -22.061 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 24.685 -22.831 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 24.685 -24.371 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 26.019 -22.061 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 27.353 -22.831 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 28.686 -22.061 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 30.020 -22.831 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 30.020 -24.372 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 31.354 -22.061 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 32.687 -22.831 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 34.021 -22.061 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 35.355 -22.831 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 35.355 -24.371 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 36.689 -22.061 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 38.022 -22.831 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 39.356 -22.061 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 40.690 -22.831 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 40.690 -24.372 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 42.023 -22.061 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 43.357 -22.831 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 44.691 -22.061 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 46.024 -22.832 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 46.024 -24.371 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 47.358 -22.061 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 48.692 -22.831 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 50.025 -22.061 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 51.359 -22.831 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 51.359 -24.372 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 52.693 -22.061 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 54.027 -22.832 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 55.360 -22.061 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 56.694 -22.832 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 56.694 -24.372 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 58.028 -22.061 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 59.361 -22.831 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 60.695 -22.062 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 62.029 -22.832 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 62.029 -24.372 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 63.363 -22.062 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 64.696 -22.832 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 66.030 -22.062 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 67.364 -22.832 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 67.364 -24.372 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 68.697 -22.062 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 70.031 -22.832 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 71.365 -22.062 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 72.698 -22.832 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 72.698 -24.372 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 74.032 -22.062 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 75.366 -22.832 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 76.699 -22.062 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 CONECT 50 49 51 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 CONECT 65 64 66 CONECT 66 65 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 CONECT 71 70 MASTER 0 0 0 0 0 0 0 0 71 0 140 0 END 3D PDB for HMDB0005181 (Dolichol-14)COMPND HMDB0005181 HETATM 1 C1 UNL 1 -22.890 -1.978 -0.099 1.00 0.00 C HETATM 2 C2 UNL 1 -21.777 -1.568 -0.971 1.00 0.00 C HETATM 3 C3 UNL 1 -21.738 -2.022 -2.399 1.00 0.00 C HETATM 4 C4 UNL 1 -20.794 -0.784 -0.484 1.00 0.00 C HETATM 5 C5 UNL 1 -19.681 -0.372 -1.352 1.00 0.00 C HETATM 6 C6 UNL 1 -18.322 -0.867 -1.002 1.00 0.00 C HETATM 7 C7 UNL 1 -17.871 -0.421 0.313 1.00 0.00 C HETATM 8 C8 UNL 1 -18.520 -0.815 1.569 1.00 0.00 C HETATM 9 C9 UNL 1 -16.769 0.358 0.384 1.00 0.00 C HETATM 10 C10 UNL 1 -16.194 0.884 1.610 1.00 0.00 C HETATM 11 C11 UNL 1 -16.235 2.372 1.727 1.00 0.00 C HETATM 12 C12 UNL 1 -15.531 3.094 0.665 1.00 0.00 C HETATM 13 C13 UNL 1 -15.961 3.091 -0.753 1.00 0.00 C HETATM 14 C14 UNL 1 -14.470 3.858 0.984 1.00 0.00 C HETATM 15 C15 UNL 1 -13.710 4.609 -0.010 1.00 0.00 C HETATM 16 C16 UNL 1 -12.260 4.225 -0.048 1.00 0.00 C HETATM 17 C17 UNL 1 -12.033 2.796 -0.401 1.00 0.00 C HETATM 18 C18 UNL 1 -12.577 1.685 0.403 1.00 0.00 C HETATM 19 C19 UNL 1 -11.314 2.465 -1.479 1.00 0.00 C HETATM 20 C20 UNL 1 -11.018 1.107 -1.932 1.00 0.00 C HETATM 21 C21 UNL 1 -9.517 0.875 -1.945 1.00 0.00 C HETATM 22 C22 UNL 1 -8.906 1.003 -0.616 1.00 0.00 C HETATM 23 C23 UNL 1 -8.949 2.244 0.153 1.00 0.00 C HETATM 24 C24 UNL 1 -8.253 -0.055 -0.091 1.00 0.00 C HETATM 25 C25 UNL 1 -7.638 0.040 1.233 1.00 0.00 C HETATM 26 C26 UNL 1 -6.162 0.003 1.309 1.00 0.00 C HETATM 27 C27 UNL 1 -5.478 -1.199 0.807 1.00 0.00 C HETATM 28 C28 UNL 1 -5.583 -1.650 -0.607 1.00 0.00 C HETATM 29 C29 UNL 1 -4.742 -1.897 1.642 1.00 0.00 C HETATM 30 C30 UNL 1 -3.993 -3.121 1.288 1.00 0.00 C HETATM 31 C31 UNL 1 -2.500 -2.935 1.575 1.00 0.00 C HETATM 32 C32 UNL 1 -1.859 -1.876 0.810 1.00 0.00 C HETATM 33 C33 UNL 1 -2.323 -0.466 0.882 1.00 0.00 C HETATM 34 C34 UNL 1 -0.806 -2.107 0.005 1.00 0.00 C HETATM 35 C35 UNL 1 -0.159 -1.044 -0.770 1.00 0.00 C HETATM 36 C36 UNL 1 1.257 -0.724 -0.299 1.00 0.00 C HETATM 37 C37 UNL 1 1.846 0.365 -1.142 1.00 0.00 C HETATM 38 C38 UNL 1 2.046 0.153 -2.599 1.00 0.00 C HETATM 39 C39 UNL 1 2.199 1.533 -0.623 1.00 0.00 C HETATM 40 C40 UNL 1 2.785 2.634 -1.422 1.00 0.00 C HETATM 41 C41 UNL 1 4.043 3.107 -0.759 1.00 0.00 C HETATM 42 C42 UNL 1 5.025 2.001 -0.661 1.00 0.00 C HETATM 43 C43 UNL 1 5.520 1.370 -1.904 1.00 0.00 C HETATM 44 C44 UNL 1 5.455 1.589 0.532 1.00 0.00 C HETATM 45 C45 UNL 1 6.430 0.497 0.635 1.00 0.00 C HETATM 46 C46 UNL 1 5.884 -0.712 1.342 1.00 0.00 C HETATM 47 C47 UNL 1 6.950 -1.749 1.422 1.00 0.00 C HETATM 48 C48 UNL 1 6.573 -3.051 2.085 1.00 0.00 C HETATM 49 C49 UNL 1 8.180 -1.567 0.944 1.00 0.00 C HETATM 50 C50 UNL 1 9.212 -2.605 1.035 1.00 0.00 C HETATM 51 C51 UNL 1 9.812 -2.998 -0.303 1.00 0.00 C HETATM 52 C52 UNL 1 10.809 -4.051 -0.015 1.00 0.00 C HETATM 53 C53 UNL 1 10.362 -5.314 0.615 1.00 0.00 C HETATM 54 C54 UNL 1 12.079 -3.838 -0.325 1.00 0.00 C HETATM 55 C55 UNL 1 13.140 -4.862 -0.060 1.00 0.00 C HETATM 56 C56 UNL 1 14.135 -4.332 0.924 1.00 0.00 C HETATM 57 C57 UNL 1 14.828 -3.094 0.484 1.00 0.00 C HETATM 58 C58 UNL 1 15.629 -3.119 -0.756 1.00 0.00 C HETATM 59 C59 UNL 1 14.756 -1.964 1.158 1.00 0.00 C HETATM 60 C60 UNL 1 15.457 -0.755 0.694 1.00 0.00 C HETATM 61 C61 UNL 1 16.447 -0.253 1.728 1.00 0.00 C HETATM 62 C62 UNL 1 17.176 0.961 1.299 1.00 0.00 C HETATM 63 C63 UNL 1 16.517 2.236 0.961 1.00 0.00 C HETATM 64 C64 UNL 1 18.497 0.885 1.220 1.00 0.00 C HETATM 65 C65 UNL 1 19.306 2.055 0.799 1.00 0.00 C HETATM 66 C66 UNL 1 20.066 1.640 -0.464 1.00 0.00 C HETATM 67 C67 UNL 1 20.923 2.749 -0.967 1.00 0.00 C HETATM 68 C68 UNL 1 20.364 4.066 -1.364 1.00 0.00 C HETATM 69 C69 UNL 1 22.229 2.558 -1.059 1.00 0.00 C HETATM 70 C70 UNL 1 23.110 3.646 -1.558 1.00 0.00 C HETATM 71 O1 UNL 1 23.803 3.260 -2.708 1.00 0.00 O HETATM 72 H1 UNL 1 -23.831 -2.085 -0.685 1.00 0.00 H HETATM 73 H2 UNL 1 -23.043 -1.242 0.725 1.00 0.00 H HETATM 74 H3 UNL 1 -22.697 -2.960 0.405 1.00 0.00 H HETATM 75 H4 UNL 1 -20.734 -2.491 -2.587 1.00 0.00 H HETATM 76 H5 UNL 1 -21.947 -1.190 -3.078 1.00 0.00 H HETATM 77 H6 UNL 1 -22.473 -2.827 -2.536 1.00 0.00 H HETATM 78 H7 UNL 1 -20.908 -0.482 0.547 1.00 0.00 H HETATM 79 H8 UNL 1 -19.940 -0.629 -2.415 1.00 0.00 H HETATM 80 H9 UNL 1 -19.647 0.751 -1.332 1.00 0.00 H HETATM 81 H10 UNL 1 -18.360 -1.999 -1.071 1.00 0.00 H HETATM 82 H11 UNL 1 -17.628 -0.506 -1.818 1.00 0.00 H HETATM 83 H12 UNL 1 -19.134 -0.001 1.987 1.00 0.00 H HETATM 84 H13 UNL 1 -17.778 -1.188 2.329 1.00 0.00 H HETATM 85 H14 UNL 1 -19.152 -1.723 1.366 1.00 0.00 H HETATM 86 H15 UNL 1 -16.284 0.566 -0.560 1.00 0.00 H HETATM 87 H16 UNL 1 -16.620 0.423 2.539 1.00 0.00 H HETATM 88 H17 UNL 1 -15.103 0.582 1.656 1.00 0.00 H HETATM 89 H18 UNL 1 -15.859 2.719 2.720 1.00 0.00 H HETATM 90 H19 UNL 1 -17.317 2.657 1.725 1.00 0.00 H HETATM 91 H20 UNL 1 -15.329 2.516 -1.434 1.00 0.00 H HETATM 92 H21 UNL 1 -17.019 2.711 -0.842 1.00 0.00 H HETATM 93 H22 UNL 1 -16.036 4.154 -1.121 1.00 0.00 H HETATM 94 H23 UNL 1 -14.187 3.904 2.035 1.00 0.00 H HETATM 95 H24 UNL 1 -13.731 5.689 0.297 1.00 0.00 H HETATM 96 H25 UNL 1 -14.101 4.531 -1.045 1.00 0.00 H HETATM 97 H26 UNL 1 -11.718 4.863 -0.783 1.00 0.00 H HETATM 98 H27 UNL 1 -11.809 4.435 0.967 1.00 0.00 H HETATM 99 H28 UNL 1 -11.810 0.884 0.592 1.00 0.00 H HETATM 100 H29 UNL 1 -13.448 1.239 -0.151 1.00 0.00 H HETATM 101 H30 UNL 1 -12.933 1.978 1.398 1.00 0.00 H HETATM 102 H31 UNL 1 -10.924 3.292 -2.071 1.00 0.00 H HETATM 103 H32 UNL 1 -11.373 0.930 -2.987 1.00 0.00 H HETATM 104 H33 UNL 1 -11.533 0.320 -1.337 1.00 0.00 H HETATM 105 H34 UNL 1 -9.288 -0.139 -2.386 1.00 0.00 H HETATM 106 H35 UNL 1 -9.111 1.617 -2.678 1.00 0.00 H HETATM 107 H36 UNL 1 -9.178 3.121 -0.481 1.00 0.00 H HETATM 108 H37 UNL 1 -7.873 2.446 0.481 1.00 0.00 H HETATM 109 H38 UNL 1 -9.614 2.241 1.033 1.00 0.00 H HETATM 110 H39 UNL 1 -8.212 -0.953 -0.676 1.00 0.00 H HETATM 111 H40 UNL 1 -8.009 -0.817 1.891 1.00 0.00 H HETATM 112 H41 UNL 1 -8.011 0.939 1.813 1.00 0.00 H HETATM 113 H42 UNL 1 -5.782 0.922 0.745 1.00 0.00 H HETATM 114 H43 UNL 1 -5.840 0.233 2.360 1.00 0.00 H HETATM 115 H44 UNL 1 -5.899 -0.780 -1.216 1.00 0.00 H HETATM 116 H45 UNL 1 -4.597 -1.952 -1.021 1.00 0.00 H HETATM 117 H46 UNL 1 -6.342 -2.433 -0.686 1.00 0.00 H HETATM 118 H47 UNL 1 -4.695 -1.537 2.690 1.00 0.00 H HETATM 119 H48 UNL 1 -4.325 -3.925 1.984 1.00 0.00 H HETATM 120 H49 UNL 1 -4.178 -3.475 0.276 1.00 0.00 H HETATM 121 H50 UNL 1 -1.953 -3.891 1.388 1.00 0.00 H HETATM 122 H51 UNL 1 -2.395 -2.726 2.661 1.00 0.00 H HETATM 123 H52 UNL 1 -2.925 -0.154 0.024 1.00 0.00 H HETATM 124 H53 UNL 1 -2.901 -0.281 1.804 1.00 0.00 H HETATM 125 H54 UNL 1 -1.419 0.213 0.996 1.00 0.00 H HETATM 126 H55 UNL 1 -0.450 -3.122 -0.049 1.00 0.00 H HETATM 127 H56 UNL 1 -0.762 -0.137 -0.898 1.00 0.00 H HETATM 128 H57 UNL 1 -0.018 -1.451 -1.816 1.00 0.00 H HETATM 129 H58 UNL 1 1.914 -1.605 -0.416 1.00 0.00 H HETATM 130 H59 UNL 1 1.202 -0.453 0.754 1.00 0.00 H HETATM 131 H60 UNL 1 1.604 -0.842 -2.886 1.00 0.00 H HETATM 132 H61 UNL 1 3.110 0.106 -2.873 1.00 0.00 H HETATM 133 H62 UNL 1 1.481 0.893 -3.215 1.00 0.00 H HETATM 134 H63 UNL 1 2.053 1.699 0.434 1.00 0.00 H HETATM 135 H64 UNL 1 2.971 2.309 -2.483 1.00 0.00 H HETATM 136 H65 UNL 1 2.060 3.486 -1.541 1.00 0.00 H HETATM 137 H66 UNL 1 3.854 3.588 0.223 1.00 0.00 H HETATM 138 H67 UNL 1 4.522 3.890 -1.422 1.00 0.00 H HETATM 139 H68 UNL 1 5.026 1.816 -2.793 1.00 0.00 H HETATM 140 H69 UNL 1 5.321 0.276 -1.829 1.00 0.00 H HETATM 141 H70 UNL 1 6.620 1.495 -1.933 1.00 0.00 H HETATM 142 H71 UNL 1 5.054 2.096 1.438 1.00 0.00 H HETATM 143 H72 UNL 1 7.281 0.889 1.240 1.00 0.00 H HETATM 144 H73 UNL 1 6.742 0.196 -0.380 1.00 0.00 H HETATM 145 H74 UNL 1 4.943 -1.074 0.923 1.00 0.00 H HETATM 146 H75 UNL 1 5.670 -0.406 2.396 1.00 0.00 H HETATM 147 H76 UNL 1 6.561 -3.869 1.358 1.00 0.00 H HETATM 148 H77 UNL 1 5.563 -2.972 2.529 1.00 0.00 H HETATM 149 H78 UNL 1 7.262 -3.280 2.924 1.00 0.00 H HETATM 150 H79 UNL 1 8.398 -0.618 0.480 1.00 0.00 H HETATM 151 H80 UNL 1 8.861 -3.514 1.596 1.00 0.00 H HETATM 152 H81 UNL 1 10.085 -2.242 1.655 1.00 0.00 H HETATM 153 H82 UNL 1 9.027 -3.348 -1.009 1.00 0.00 H HETATM 154 H83 UNL 1 10.323 -2.082 -0.680 1.00 0.00 H HETATM 155 H84 UNL 1 10.755 -6.213 0.101 1.00 0.00 H HETATM 156 H85 UNL 1 10.607 -5.304 1.698 1.00 0.00 H HETATM 157 H86 UNL 1 9.258 -5.360 0.551 1.00 0.00 H HETATM 158 H87 UNL 1 12.423 -2.908 -0.788 1.00 0.00 H HETATM 159 H88 UNL 1 12.746 -5.843 0.192 1.00 0.00 H HETATM 160 H89 UNL 1 13.673 -4.984 -1.043 1.00 0.00 H HETATM 161 H90 UNL 1 14.930 -5.100 1.066 1.00 0.00 H HETATM 162 H91 UNL 1 13.654 -4.184 1.926 1.00 0.00 H HETATM 163 H92 UNL 1 15.198 -2.387 -1.468 1.00 0.00 H HETATM 164 H93 UNL 1 15.596 -4.123 -1.259 1.00 0.00 H HETATM 165 H94 UNL 1 16.694 -2.878 -0.548 1.00 0.00 H HETATM 166 H95 UNL 1 14.175 -1.921 2.067 1.00 0.00 H HETATM 167 H96 UNL 1 16.009 -0.921 -0.249 1.00 0.00 H HETATM 168 H97 UNL 1 14.707 0.045 0.514 1.00 0.00 H HETATM 169 H98 UNL 1 17.143 -1.083 1.932 1.00 0.00 H HETATM 170 H99 UNL 1 15.898 -0.033 2.687 1.00 0.00 H HETATM 171 HA0 UNL 1 15.410 2.167 1.016 1.00 0.00 H HETATM 172 HA1 UNL 1 16.761 2.575 -0.082 1.00 0.00 H HETATM 173 HA2 UNL 1 16.809 3.079 1.626 1.00 0.00 H HETATM 174 HA3 UNL 1 19.036 -0.031 1.458 1.00 0.00 H HETATM 175 HA4 UNL 1 20.028 2.384 1.588 1.00 0.00 H HETATM 176 HA5 UNL 1 18.685 2.918 0.501 1.00 0.00 H HETATM 177 HA6 UNL 1 19.298 1.374 -1.215 1.00 0.00 H HETATM 178 HA7 UNL 1 20.668 0.768 -0.179 1.00 0.00 H HETATM 179 HA8 UNL 1 20.811 4.878 -0.736 1.00 0.00 H HETATM 180 HA9 UNL 1 20.565 4.328 -2.418 1.00 0.00 H HETATM 181 HB0 UNL 1 19.267 4.112 -1.205 1.00 0.00 H HETATM 182 HB1 UNL 1 22.709 1.616 -0.781 1.00 0.00 H HETATM 183 HB2 UNL 1 22.537 4.569 -1.778 1.00 0.00 H HETATM 184 HB3 UNL 1 23.853 3.846 -0.748 1.00 0.00 H HETATM 185 HB4 UNL 1 24.455 2.543 -2.505 1.00 0.00 H CONECT 1 2 72 73 74 CONECT 2 3 4 4 CONECT 3 75 76 77 CONECT 4 5 78 CONECT 5 6 79 80 CONECT 6 7 81 82 CONECT 7 8 9 9 CONECT 8 83 84 85 CONECT 9 10 86 CONECT 10 11 87 88 CONECT 11 12 89 90 CONECT 12 13 14 14 CONECT 13 91 92 93 CONECT 14 15 94 CONECT 15 16 95 96 CONECT 16 17 97 98 CONECT 17 18 19 19 CONECT 18 99 100 101 CONECT 19 20 102 CONECT 20 21 103 104 CONECT 21 22 105 106 CONECT 22 23 24 24 CONECT 23 107 108 109 CONECT 24 25 110 CONECT 25 26 111 112 CONECT 26 27 113 114 CONECT 27 28 29 29 CONECT 28 115 116 117 CONECT 29 30 118 CONECT 30 31 119 120 CONECT 31 32 121 122 CONECT 32 33 34 34 CONECT 33 123 124 125 CONECT 34 35 126 CONECT 35 36 127 128 CONECT 36 37 129 130 CONECT 37 38 39 39 CONECT 38 131 132 133 CONECT 39 40 134 CONECT 40 41 135 136 CONECT 41 42 137 138 CONECT 42 43 44 44 CONECT 43 139 140 141 CONECT 44 45 142 CONECT 45 46 143 144 CONECT 46 47 145 146 CONECT 47 48 49 49 CONECT 48 147 148 149 CONECT 49 50 150 CONECT 50 51 151 152 CONECT 51 52 153 154 CONECT 52 53 54 54 CONECT 53 155 156 157 CONECT 54 55 158 CONECT 55 56 159 160 CONECT 56 57 161 162 CONECT 57 58 59 59 CONECT 58 163 164 165 CONECT 59 60 166 CONECT 60 61 167 168 CONECT 61 62 169 170 CONECT 62 63 64 64 CONECT 63 171 172 173 CONECT 64 65 174 CONECT 65 66 175 176 CONECT 66 67 177 178 CONECT 67 68 69 69 CONECT 68 179 180 181 CONECT 69 70 182 CONECT 70 71 183 184 CONECT 71 185 END SMILES for HMDB0005181 (Dolichol-14)CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO INCHI for HMDB0005181 (Dolichol-14)InChI=1S/C70H114O/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-71/h29,31,33,35,37,39,41,43,45,47,49,51,53,55,71H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3/b58-31+,59-33+,60-35+,61-37+,62-39+,63-41+,64-43+,65-45+,66-47+,67-49+,68-51+,69-53+,70-55+ 3D Structure for HMDB0005181 (Dolichol-14) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C70H114O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 971.6536 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 970.88696827 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | 118204-12-9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C70H114O/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-71/h29,31,33,35,37,39,41,43,45,47,49,51,53,55,71H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3/b58-31+,59-33+,60-35+,61-37+,62-39+,63-41+,64-43+,65-45+,66-47+,67-49+,68-51+,69-53+,70-55+ | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DLNRMPLOFNVUTQ-WIKVCOJLSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polyprenols. These are prenols with more than 4 consecutive isoprene units. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Polyprenols | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polyprenols | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | Biological location
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| Process | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Solid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
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| Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
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| Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations |
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| Biospecimen Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Abnormal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated Disorders and Diseases | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | FDB023634 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 4947397 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 6443375 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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