Showing metabocard for Dolichyl beta-D-mannosyl phosphate (HMDB0012218)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2009-04-06 16:21:12 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2022-03-07 02:51:22 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0012218 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Dolichyl beta-D-mannosyl phosphate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Dolichyl beta-D-mannosyl phosphate, also known as D mannopyranosyldolichyl or phosphate, dolichyl mannopyranosyl, belongs to the class of organic compounds known as dolichyl monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a dolichyl moiety. Based on a literature review a small amount of articles have been published on Dolichyl beta-D-mannosyl phosphate. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)
Mrv0541 02241203502D
96 96 0 0 1 0 999 V2000
4.1668 -15.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4523 -15.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1668 -14.5260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7378 -15.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4523 -14.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7378 -14.5260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4537 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1681 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1681 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -14.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -13.2885 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
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4.8813 -12.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5957 -12.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5957 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3102 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3102 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0247 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7392 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.3210 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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40.6052 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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31.3170 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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38.4617 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.6052 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.4590 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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27.0301 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1735 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3156 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24.8866 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.1722 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3156 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4577 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.1695 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4550 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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96 92 1 0 0 0 0
M END
3D MOL for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)HMDB0012218
RDKit 3D
Dolichyl beta-D-mannosyl phosphate
239239 0 0 0 0 0 0 0 0999 V2000
0.7828 -1.7069 -7.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5477 -7.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7578 1.5312 -8.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6961 2.8310 -8.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 2.9753 -7.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3784 7.0317 -4.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4551 4.2313 3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0577 4.7334 3.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6825 3.1370 4.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5651 0.8387 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6352 2.2595 -2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9409 0.7303 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2027 0.8151 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 4.5443 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0894 3.7084 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0460 3.1350 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8030 2.2258 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2321 3.9885 3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5487 4.7851 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2023 5.0207 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 5.9665 2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0122 5.7209 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3931 4.0630 2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6359 4.9407 4.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7034 2.8048 4.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5202 2.9046 5.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5890 2.9085 4.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4590 0.6771 4.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6662 0.7335 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5163 -0.5223 5.4092 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1250 0.5492 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4555 1.2702 5.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0206 -0.4917 6.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6512 -0.9289 8.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 -0.8696 7.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7431 -2.9123 7.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3132 -3.2031 8.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1191 -4.3574 5.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2851 -2.7189 6.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6470 -2.9850 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 -4.0856 5.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 -5.8334 4.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8733 -4.7819 4.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6829 -3.1937 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6945 -4.8546 2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 -2.5381 4.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1873 -2.7162 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3987 -3.9443 4.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7896 -5.4581 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 -5.8858 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 -4.2776 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -5.0641 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 -3.3746 -0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1859 -2.4780 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1352 -2.8039 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6019 -3.7924 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -5.6729 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 -5.6628 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -3.8919 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1966 -5.4391 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8059 -3.7069 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6968 -3.2176 -4.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3121 -4.0903 -4.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8249 -4.9529 -4.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2906 -4.4695 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7074 -5.0396 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3799 -3.4262 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2151 -3.6922 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3616 -4.0605 -3.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0550 -1.6392 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0425 -0.2945 -3.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8329 -1.7621 -4.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0168 -1.7810 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7572 0.5377 -4.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4293 0.2325 -3.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6036 2.1356 -2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2779 1.3390 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0572 -0.1739 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2767 1.5422 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0624 1.0958 -2.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6757 1.0072 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6405 0.3592 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8140 1.6445 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5438 -0.5686 3.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7795 -1.1910 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6715 1.8241 3.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1148 2.2977 2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1456 1.2775 4.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4141 -1.2025 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4128 1.3033 3.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7678 -0.3277 3.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8763 1.1110 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0496 -0.4010 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 1.5790 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2790 3.2758 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0350 3.1512 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3665 2.7518 3.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -0.1349 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9091 1.4110 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6631 0.7906 4.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5408 -0.3051 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2588 0.4306 6.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1005 -3.4151 6.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0772 -5.6716 7.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -3.0168 6.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8556 -4.3284 6.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -2.5110 8.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0414 -4.7861 4.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 -6.5530 4.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -6.9812 6.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 -7.5157 4.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5023 -5.6478 6.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5860 -5.5026 3.8352 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
71 72 1 0
72 73 1 0
72 74 2 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 2 0
82 84 1 0
82 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
88 89 1 0
89 90 1 0
88 91 1 0
91 92 1 0
91 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
95 86 1 0
1 97 1 0
1 98 1 0
1 99 1 0
3100 1 0
3101 1 0
3102 1 0
4103 1 0
5104 1 0
5105 1 0
6106 1 0
6107 1 0
8108 1 0
8109 1 0
8110 1 0
9111 1 0
10112 1 0
10113 1 0
11114 1 0
11115 1 0
13116 1 0
13117 1 0
13118 1 0
14119 1 0
15120 1 0
15121 1 0
16122 1 0
16123 1 0
18124 1 0
18125 1 0
18126 1 0
19127 1 0
20128 1 0
20129 1 0
21130 1 0
21131 1 0
23132 1 0
23133 1 0
23134 1 0
24135 1 0
25136 1 0
25137 1 0
26138 1 0
26139 1 0
28140 1 0
28141 1 0
28142 1 0
29143 1 0
30144 1 0
30145 1 0
31146 1 0
31147 1 0
33148 1 0
33149 1 0
33150 1 0
34151 1 0
35152 1 0
35153 1 0
36154 1 0
36155 1 0
38156 1 0
38157 1 0
38158 1 0
39159 1 0
40160 1 0
40161 1 0
41162 1 0
41163 1 0
43164 1 0
43165 1 0
43166 1 0
44167 1 0
45168 1 0
45169 1 0
46170 1 0
46171 1 0
48172 1 0
48173 1 0
48174 1 0
49175 1 0
50176 1 0
50177 1 0
51178 1 0
51179 1 0
53180 1 0
53181 1 0
53182 1 0
54183 1 0
55184 1 0
55185 1 0
56186 1 0
56187 1 0
58188 1 0
58189 1 0
58190 1 0
59191 1 0
60192 1 0
60193 1 0
61194 1 0
61195 1 0
63196 1 0
63197 1 0
63198 1 0
64199 1 0
65200 1 0
65201 1 0
66202 1 0
66203 1 0
68204 1 0
68205 1 0
68206 1 0
69207 1 0
70208 1 0
70209 1 0
71210 1 0
71211 1 0
73212 1 0
73213 1 0
73214 1 0
74215 1 0
75216 1 0
75217 1 0
76218 1 0
76219 1 0
77220 1 0
78221 1 0
78222 1 0
78223 1 0
79224 1 0
79225 1 0
80226 1 0
80227 1 0
84228 1 0
86229 1 1
88230 1 1
89231 1 0
89232 1 0
90233 1 0
91234 1 6
92235 1 0
93236 1 1
94237 1 0
95238 1 1
96239 1 0
M END
3D SDF for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)
Mrv0541 02241203502D
96 96 0 0 1 0 999 V2000
4.1668 -15.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4523 -15.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1668 -14.5260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7378 -15.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4523 -14.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7378 -14.5260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4537 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1681 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1681 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -14.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -13.2885 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 -13.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7063 -13.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -12.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5957 -12.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5957 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3102 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3102 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0247 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7392 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.3210 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
45.6065 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
44.8921 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
44.1775 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.3210 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
43.4631 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.1789 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
48.4644 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
47.7499 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
47.0355 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.1789 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.8934 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
42.7486 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
42.0341 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
41.3197 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
43.4631 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.6052 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.0314 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.3170 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.6025 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.8880 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.0314 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1735 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.8893 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.1748 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.4604 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.7459 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.8893 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.7473 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.0328 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.3183 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.6038 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.7473 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
39.8907 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
39.1762 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.4617 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.6052 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.4590 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.7446 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.0301 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1735 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3156 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.6012 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.8866 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.1722 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3156 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4577 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8839 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1695 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4550 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7405 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8839 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0261 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7419 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0274 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3129 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5984 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7419 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5998 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8853 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1708 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4563 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5998 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7432 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0288 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3143 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4577 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3115 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5971 -10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8826 -11.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0261 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0234 -14.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8813 -15.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4523 -16.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0234 -15.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0234 -13.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 4 1 0 0 0 0
6 5 1 0 0 0 0
8 7 2 0 0 0 0
9 8 1 0 0 0 0
12 11 2 0 0 0 0
13 11 1 0 0 0 0
14 11 1 0 0 0 0
10 11 1 0 0 0 0
15 14 1 0 0 0 0
16 15 1 0 0 0 0
17 16 1 0 0 0 0
18 17 1 0 0 0 0
19 17 1 0 0 0 0
20 19 1 0 0 0 0
7 20 1 0 0 0 0
22 21 2 0 0 0 0
23 22 1 0 0 0 0
24 23 1 0 0 0 0
25 21 1 0 0 0 0
26 24 1 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
30 29 1 0 0 0 0
31 27 1 0 0 0 0
21 30 1 0 0 0 0
27 32 1 0 0 0 0
33 26 2 0 0 0 0
34 33 1 0 0 0 0
35 34 1 0 0 0 0
36 26 1 0 0 0 0
37 35 1 0 0 0 0
39 38 2 0 0 0 0
40 39 1 0 0 0 0
41 40 1 0 0 0 0
42 38 1 0 0 0 0
43 41 1 0 0 0 0
45 44 2 0 0 0 0
46 45 1 0 0 0 0
47 46 1 0 0 0 0
48 44 1 0 0 0 0
38 47 1 0 0 0 0
50 49 2 0 0 0 0
51 50 1 0 0 0 0
52 51 1 0 0 0 0
53 49 1 0 0 0 0
44 52 1 0 0 0 0
54 37 2 0 0 0 0
55 54 1 0 0 0 0
56 55 1 0 0 0 0
57 37 1 0 0 0 0
49 56 1 0 0 0 0
58 43 2 0 0 0 0
59 58 1 0 0 0 0
60 59 1 0 0 0 0
61 43 1 0 0 0 0
62 60 1 0 0 0 0
63 62 2 0 0 0 0
64 63 1 0 0 0 0
65 64 1 0 0 0 0
66 62 1 0 0 0 0
67 65 1 0 0 0 0
69 68 2 0 0 0 0
70 69 1 0 0 0 0
71 70 1 0 0 0 0
72 68 1 0 0 0 0
73 71 1 0 0 0 0
75 74 2 0 0 0 0
76 75 1 0 0 0 0
77 76 1 0 0 0 0
78 74 1 0 0 0 0
68 77 1 0 0 0 0
80 79 2 0 0 0 0
81 80 1 0 0 0 0
82 81 1 0 0 0 0
83 79 1 0 0 0 0
74 82 1 0 0 0 0
84 67 2 0 0 0 0
85 84 1 0 0 0 0
86 85 1 0 0 0 0
87 67 1 0 0 0 0
79 86 1 0 0 0 0
88 73 2 0 0 0 0
89 88 1 0 0 0 0
90 89 1 0 0 0 0
91 73 1 0 0 0 0
8 90 1 0 0 0 0
3 10 1 1 0 0 0
6 92 1 1 0 0 0
1 93 1 1 0 0 0
2 94 1 1 0 0 0
4 95 1 6 0 0 0
96 92 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0012218
> <DATABASE_NAME>
hmdb
> <SMILES>
OC[C@H]1O[C@@H](OP(=O)(O)OCCC(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)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O
> <INCHI_IDENTIFIER>
InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1
> <INCHI_KEY>
YRJQNWAWJNIMPJ-HNEPGKAWSA-N
> <FORMULA>
C86H143O9P
> <MOLECULAR_WEIGHT>
1352.024
> <EXACT_MASS>
1351.046972686
> <JCHEM_ACCEPTOR_COUNT>
7
> <JCHEM_AVERAGE_POLARIZABILITY>
173.24550637115846
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
> <ALOGPS_LOGP>
9.23
> <JCHEM_LOGP>
23.828487709333338
> <ALOGPS_LOGS>
-6.32
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
12.209100668724167
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6167555251888581
> <JCHEM_PKA_STRONGEST_BASIC>
-2.981099581934995
> <JCHEM_POLAR_SURFACE_AREA>
145.91000000000003
> <JCHEM_REFRACTIVITY>
426.7397999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
52
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
6.52e-04 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)HMDB0012218
RDKit 3D
Dolichyl beta-D-mannosyl phosphate
239239 0 0 0 0 0 0 0 0999 V2000
0.7828 -1.7069 -7.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5477 -7.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7620 0.3835 -7.9273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 1.5312 -8.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6961 2.8310 -8.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 2.9753 -7.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 2.0771 -6.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 3.9636 -7.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 4.2259 -6.8546 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8180 5.6194 -6.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9043 6.3221 -5.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3028 7.7727 -5.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2047 5.8578 -4.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9725 6.7647 -4.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3784 7.0317 -4.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3506 5.9559 -4.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7459 6.2516 -4.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1119 4.7579 -3.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2206 3.7067 -3.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 3.3422 -2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5482 2.3519 -2.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4465 1.0487 -3.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6108 2.6658 -1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.0640 1.3779 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3279 2.6291 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4208 3.5501 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5854 2.9168 1.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8334 4.1792 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5013 4.9319 2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4551 4.2313 3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0577 4.7334 3.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6825 3.1370 4.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5429 2.5224 4.7166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4541 1.0358 4.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5356 0.3360 5.4686 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9701 0.4369 5.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1317 -0.4509 6.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9956 -1.2210 7.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8451 -2.6972 7.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2346 -3.3728 6.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6635 -3.3518 5.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3521 -4.0510 5.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7512 -4.7399 4.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2432 -4.2065 2.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7823 -4.1403 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9499 -3.3185 3.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 -4.8395 1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 -4.8016 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4464 -4.3600 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 -4.2393 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8085 -3.2466 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -4.9518 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1782 -4.7460 -1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4474 -4.5015 -2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9169 -4.2551 -2.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2792 -4.1128 -4.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8069 -4.2428 -2.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2093 -4.0475 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1677 -3.4825 -2.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1398 -2.0703 -3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0108 -1.4087 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1929 -1.2577 -2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3560 0.1416 -3.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3130 1.1486 -2.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2545 0.9716 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7028 0.8495 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7285 0.9204 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6408 0.7395 1.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9706 -0.3506 2.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6394 0.2424 2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6173 1.5174 3.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4714 -0.2935 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1814 0.3856 2.7982 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 0.5964 1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0127 1.2971 1.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1880 2.7297 2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7732 0.6731 2.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6205 0.0618 3.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3793 -1.0318 3.8958 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0136 -1.5147 5.5003 P 0 0 0 0 0 5 0 0 0 0 0 0
-3.2308 -1.4193 6.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4366 -3.0750 5.4913 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2071 -3.9420 6.2649 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4135 -4.3773 7.3233 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1864 -4.8435 6.9144 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9103 -3.8050 6.9497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1008 -3.2988 8.2333 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1991 -5.4837 5.5615 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7821 -6.4692 5.4834 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 -6.1798 5.3580 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5568 -6.7445 4.1030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6384 -5.1559 5.4691 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0722 -4.7581 4.1889 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5502 -1.5654 -6.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9557 -2.6431 -7.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 -1.7661 -6.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1345 -0.5145 -9.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8069 0.5746 -8.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 -1.1892 -8.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5398 0.2431 -7.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9605 1.4439 -9.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7136 1.4941 -9.4328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 3.6917 -8.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5835 2.8528 -7.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0338 1.4614 -5.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1753 2.6164 -5.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6660 1.3643 -6.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 4.6216 -8.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 3.9676 -7.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 3.4838 -6.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4989 8.4690 -5.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5064 4.8598 -5.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3929 7.6871 -3.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0371 6.3067 -3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4426 7.4480 -5.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 7.8464 -3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 7.3084 -5.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9942 5.6171 -5.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4427 6.0519 -4.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 4.4759 -3.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1143 4.0896 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8679 2.8303 -4.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4848 2.8381 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6687 4.2240 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2013 1.0276 -3.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6002 0.1896 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4476 0.9744 -3.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5985 3.6534 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5651 0.8387 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6352 2.2595 -2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9409 0.7303 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2027 0.8151 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 4.5443 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0894 3.7084 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0460 3.1350 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8030 2.2258 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2321 3.9885 3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5487 4.7851 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2023 5.0207 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 5.9665 2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0122 5.7209 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3931 4.0630 2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6359 4.9407 4.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7034 2.8048 4.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5202 2.9046 5.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5890 2.9085 4.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4590 0.6771 4.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6662 0.7335 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5163 -0.5223 5.4092 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1250 0.5492 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4555 1.2702 5.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0206 -0.4917 6.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6512 -0.9289 8.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 -0.8696 7.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7431 -2.9123 7.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3132 -3.2031 8.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1191 -4.3574 5.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2851 -2.7189 6.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6470 -2.9850 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 -4.0856 5.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 -5.8334 4.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8733 -4.7819 4.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6829 -3.1937 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6945 -4.8546 2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 -2.5381 4.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0414 -4.7861 4.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 -6.5530 4.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -6.9812 6.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 -7.5157 4.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5023 -5.6478 6.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5860 -5.5026 3.8352 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
71 72 1 0
72 73 1 0
72 74 2 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 2 0
82 84 1 0
82 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
88 89 1 0
89 90 1 0
88 91 1 0
91 92 1 0
91 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
95 86 1 0
1 97 1 0
1 98 1 0
1 99 1 0
3100 1 0
3101 1 0
3102 1 0
4103 1 0
5104 1 0
5105 1 0
6106 1 0
6107 1 0
8108 1 0
8109 1 0
8110 1 0
9111 1 0
10112 1 0
10113 1 0
11114 1 0
11115 1 0
13116 1 0
13117 1 0
13118 1 0
14119 1 0
15120 1 0
15121 1 0
16122 1 0
16123 1 0
18124 1 0
18125 1 0
18126 1 0
19127 1 0
20128 1 0
20129 1 0
21130 1 0
21131 1 0
23132 1 0
23133 1 0
23134 1 0
24135 1 0
25136 1 0
25137 1 0
26138 1 0
26139 1 0
28140 1 0
28141 1 0
28142 1 0
29143 1 0
30144 1 0
30145 1 0
31146 1 0
31147 1 0
33148 1 0
33149 1 0
33150 1 0
34151 1 0
35152 1 0
35153 1 0
36154 1 0
36155 1 0
38156 1 0
38157 1 0
38158 1 0
39159 1 0
40160 1 0
40161 1 0
41162 1 0
41163 1 0
43164 1 0
43165 1 0
43166 1 0
44167 1 0
45168 1 0
45169 1 0
46170 1 0
46171 1 0
48172 1 0
48173 1 0
48174 1 0
49175 1 0
50176 1 0
50177 1 0
51178 1 0
51179 1 0
53180 1 0
53181 1 0
53182 1 0
54183 1 0
55184 1 0
55185 1 0
56186 1 0
56187 1 0
58188 1 0
58189 1 0
58190 1 0
59191 1 0
60192 1 0
60193 1 0
61194 1 0
61195 1 0
63196 1 0
63197 1 0
63198 1 0
64199 1 0
65200 1 0
65201 1 0
66202 1 0
66203 1 0
68204 1 0
68205 1 0
68206 1 0
69207 1 0
70208 1 0
70209 1 0
71210 1 0
71211 1 0
73212 1 0
73213 1 0
73214 1 0
74215 1 0
75216 1 0
75217 1 0
76218 1 0
76219 1 0
77220 1 0
78221 1 0
78222 1 0
78223 1 0
79224 1 0
79225 1 0
80226 1 0
80227 1 0
84228 1 0
86229 1 1
88230 1 1
89231 1 0
89232 1 0
90233 1 0
91234 1 6
92235 1 0
93236 1 1
94237 1 0
95238 1 1
96239 1 0
M END
PDB for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 C UNK 0 7.778 -28.655 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 6.444 -29.425 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 7.778 -27.115 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.111 -28.655 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 6.444 -26.345 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 5.111 -27.115 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 15.780 -20.955 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 17.114 -20.185 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 17.114 -18.645 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 9.112 -26.345 0.000 0.00 0.00 O+0 HETATM 11 P UNK 0 9.112 -24.805 0.000 0.00 0.00 P+0 HETATM 12 O UNK 0 7.572 -24.805 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 10.652 -24.805 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 9.112 -23.265 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 10.445 -22.495 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 10.445 -20.955 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 11.779 -20.185 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 11.779 -18.645 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 13.113 -20.955 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 14.447 -20.185 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 86.466 -20.185 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 85.132 -20.955 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 83.799 -20.185 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 82.465 -20.955 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 86.466 -18.645 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 81.131 -20.185 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 91.801 -20.185 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 90.467 -20.955 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 89.133 -20.185 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 87.800 -20.955 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 91.801 -18.645 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 93.134 -20.955 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 79.797 -20.955 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 78.464 -20.185 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 77.130 -20.955 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 81.131 -18.645 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 75.796 -20.185 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 59.792 -20.185 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 58.458 -20.955 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 57.125 -20.185 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 55.791 -20.955 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 59.792 -18.645 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 54.457 -20.185 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 65.127 -20.185 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 63.793 -20.955 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 62.459 -20.185 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 61.126 -20.955 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 65.127 -18.645 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 70.462 -20.185 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 69.128 -20.955 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 67.794 -20.185 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 66.460 -20.955 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 70.462 -18.645 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 74.463 -20.955 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 73.129 -20.185 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 71.795 -20.955 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 75.796 -18.645 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 53.123 -20.955 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 51.790 -20.185 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 50.456 -20.955 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 54.457 -18.645 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 49.122 -20.185 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 47.789 -20.955 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 46.455 -20.185 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 45.121 -20.955 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 49.122 -18.645 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 43.788 -20.185 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 27.783 -20.185 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 26.450 -20.955 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 25.116 -20.185 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 23.782 -20.955 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 27.783 -18.645 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 22.449 -20.185 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 33.118 -20.185 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 31.784 -20.955 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 30.451 -20.185 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 29.117 -20.955 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 33.118 -18.645 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 38.453 -20.185 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 37.119 -20.955 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 35.785 -20.185 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 34.452 -20.955 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 38.453 -18.645 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 42.454 -20.955 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 41.120 -20.185 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 39.787 -20.955 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 43.788 -18.645 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 21.115 -20.955 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 19.781 -20.185 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 18.448 -20.955 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 22.449 -18.645 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 3.777 -26.345 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 9.112 -29.425 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 6.444 -30.965 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 3.777 -29.425 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 3.777 -24.805 0.000 0.00 0.00 O+0 CONECT 1 2 3 93 CONECT 2 1 4 94 CONECT 3 1 5 10 CONECT 4 2 6 95 CONECT 5 3 6 CONECT 6 4 5 92 CONECT 7 8 20 CONECT 8 7 9 90 CONECT 9 8 CONECT 10 11 3 CONECT 11 12 13 14 10 CONECT 12 11 CONECT 13 11 CONECT 14 11 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 7 CONECT 21 22 25 30 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 26 CONECT 25 21 CONECT 26 24 33 36 CONECT 27 28 31 32 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 21 CONECT 31 27 CONECT 32 27 CONECT 33 26 34 CONECT 34 33 35 CONECT 35 34 37 CONECT 36 26 CONECT 37 35 54 57 CONECT 38 39 42 47 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 43 CONECT 42 38 CONECT 43 41 58 61 CONECT 44 45 48 52 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 38 CONECT 48 44 CONECT 49 50 53 56 CONECT 50 49 51 CONECT 51 50 52 CONECT 52 51 44 CONECT 53 49 CONECT 54 37 55 CONECT 55 54 56 CONECT 56 55 49 CONECT 57 37 CONECT 58 43 59 CONECT 59 58 60 CONECT 60 59 62 CONECT 61 43 CONECT 62 60 63 66 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 67 CONECT 66 62 CONECT 67 65 84 87 CONECT 68 69 72 77 CONECT 69 68 70 CONECT 70 69 71 CONECT 71 70 73 CONECT 72 68 CONECT 73 71 88 91 CONECT 74 75 78 82 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 68 CONECT 78 74 CONECT 79 80 83 86 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 74 CONECT 83 79 CONECT 84 67 85 CONECT 85 84 86 CONECT 86 85 79 CONECT 87 67 CONECT 88 73 89 CONECT 89 88 90 CONECT 90 89 8 CONECT 91 73 CONECT 92 6 96 CONECT 93 1 CONECT 94 2 CONECT 95 4 CONECT 96 92 MASTER 0 0 0 0 0 0 0 0 96 0 192 0 END 3D PDB for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)COMPND HMDB0012218 HETATM 1 C1 UNL 1 0.783 -1.707 -7.061 1.00 0.00 C HETATM 2 C2 UNL 1 0.783 -0.548 -7.985 1.00 0.00 C HETATM 3 C3 UNL 1 -0.309 -0.422 -8.981 1.00 0.00 C HETATM 4 C4 UNL 1 1.762 0.384 -7.927 1.00 0.00 C HETATM 5 C5 UNL 1 1.758 1.531 -8.844 1.00 0.00 C HETATM 6 C6 UNL 1 1.696 2.831 -8.121 1.00 0.00 C HETATM 7 C7 UNL 1 0.463 2.975 -7.277 1.00 0.00 C HETATM 8 C8 UNL 1 0.149 2.077 -6.157 1.00 0.00 C HETATM 9 C9 UNL 1 -0.352 3.964 -7.590 1.00 0.00 C HETATM 10 C10 UNL 1 -1.592 4.226 -6.855 1.00 0.00 C HETATM 11 C11 UNL 1 -1.818 5.619 -6.453 1.00 0.00 C HETATM 12 C12 UNL 1 -0.904 6.322 -5.560 1.00 0.00 C HETATM 13 C13 UNL 1 -1.303 7.773 -5.279 1.00 0.00 C HETATM 14 C14 UNL 1 0.205 5.858 -4.985 1.00 0.00 C HETATM 15 C15 UNL 1 0.972 6.765 -4.111 1.00 0.00 C HETATM 16 C16 UNL 1 2.378 7.032 -4.500 1.00 0.00 C HETATM 17 C17 UNL 1 3.351 5.956 -4.420 1.00 0.00 C HETATM 18 C18 UNL 1 4.746 6.252 -4.889 1.00 0.00 C HETATM 19 C19 UNL 1 3.112 4.758 -3.976 1.00 0.00 C HETATM 20 C20 UNL 1 4.221 3.707 -3.940 1.00 0.00 C HETATM 21 C21 UNL 1 4.412 3.342 -2.490 1.00 0.00 C HETATM 22 C22 UNL 1 5.548 2.352 -2.405 1.00 0.00 C HETATM 23 C23 UNL 1 5.447 1.049 -3.120 1.00 0.00 C HETATM 24 C24 UNL 1 6.611 2.666 -1.696 1.00 0.00 C HETATM 25 C25 UNL 1 7.753 1.751 -1.573 1.00 0.00 C HETATM 26 C26 UNL 1 8.064 1.378 -0.128 1.00 0.00 C HETATM 27 C27 UNL 1 8.328 2.629 0.665 1.00 0.00 C HETATM 28 C28 UNL 1 9.421 3.550 0.274 1.00 0.00 C HETATM 29 C29 UNL 1 7.585 2.917 1.717 1.00 0.00 C HETATM 30 C30 UNL 1 7.833 4.179 2.522 1.00 0.00 C HETATM 31 C31 UNL 1 6.501 4.932 2.521 1.00 0.00 C HETATM 32 C32 UNL 1 5.455 4.231 3.263 1.00 0.00 C HETATM 33 C33 UNL 1 4.058 4.733 3.176 1.00 0.00 C HETATM 34 C34 UNL 1 5.683 3.137 4.037 1.00 0.00 C HETATM 35 C35 UNL 1 4.543 2.522 4.717 1.00 0.00 C HETATM 36 C36 UNL 1 4.454 1.036 4.681 1.00 0.00 C HETATM 37 C37 UNL 1 5.536 0.336 5.469 1.00 0.00 C HETATM 38 C38 UNL 1 6.970 0.437 5.188 1.00 0.00 C HETATM 39 C39 UNL 1 5.132 -0.451 6.486 1.00 0.00 C HETATM 40 C40 UNL 1 5.996 -1.221 7.392 1.00 0.00 C HETATM 41 C41 UNL 1 5.845 -2.697 7.328 1.00 0.00 C HETATM 42 C42 UNL 1 6.235 -3.373 6.102 1.00 0.00 C HETATM 43 C43 UNL 1 7.663 -3.352 5.589 1.00 0.00 C HETATM 44 C44 UNL 1 5.352 -4.051 5.374 1.00 0.00 C HETATM 45 C45 UNL 1 5.751 -4.740 4.138 1.00 0.00 C HETATM 46 C46 UNL 1 5.243 -4.207 2.859 1.00 0.00 C HETATM 47 C47 UNL 1 3.782 -4.140 2.688 1.00 0.00 C HETATM 48 C48 UNL 1 2.950 -3.318 3.568 1.00 0.00 C HETATM 49 C49 UNL 1 3.215 -4.839 1.709 1.00 0.00 C HETATM 50 C50 UNL 1 1.731 -4.802 1.489 1.00 0.00 C HETATM 51 C51 UNL 1 1.446 -4.360 0.063 1.00 0.00 C HETATM 52 C52 UNL 1 -0.019 -4.239 -0.178 1.00 0.00 C HETATM 53 C53 UNL 1 -0.809 -3.247 0.644 1.00 0.00 C HETATM 54 C54 UNL 1 -0.693 -4.952 -1.067 1.00 0.00 C HETATM 55 C55 UNL 1 -2.178 -4.746 -1.233 1.00 0.00 C HETATM 56 C56 UNL 1 -2.447 -4.502 -2.678 1.00 0.00 C HETATM 57 C57 UNL 1 -3.917 -4.255 -2.948 1.00 0.00 C HETATM 58 C58 UNL 1 -4.279 -4.113 -4.352 1.00 0.00 C HETATM 59 C59 UNL 1 -4.807 -4.243 -2.000 1.00 0.00 C HETATM 60 C60 UNL 1 -6.209 -4.047 -1.880 1.00 0.00 C HETATM 61 C61 UNL 1 -7.168 -3.482 -2.793 1.00 0.00 C HETATM 62 C62 UNL 1 -7.140 -2.070 -3.189 1.00 0.00 C HETATM 63 C63 UNL 1 -6.011 -1.409 -3.858 1.00 0.00 C HETATM 64 C64 UNL 1 -8.193 -1.258 -2.915 1.00 0.00 C HETATM 65 C65 UNL 1 -8.356 0.142 -3.230 1.00 0.00 C HETATM 66 C66 UNL 1 -8.313 1.149 -2.151 1.00 0.00 C HETATM 67 C67 UNL 1 -9.254 0.972 -1.029 1.00 0.00 C HETATM 68 C68 UNL 1 -10.703 0.850 -1.178 1.00 0.00 C HETATM 69 C69 UNL 1 -8.729 0.920 0.195 1.00 0.00 C HETATM 70 C70 UNL 1 -9.641 0.739 1.348 1.00 0.00 C HETATM 71 C71 UNL 1 -8.971 -0.351 2.217 1.00 0.00 C HETATM 72 C72 UNL 1 -7.639 0.242 2.625 1.00 0.00 C HETATM 73 C73 UNL 1 -7.617 1.517 3.420 1.00 0.00 C HETATM 74 C74 UNL 1 -6.471 -0.293 2.344 1.00 0.00 C HETATM 75 C75 UNL 1 -5.181 0.386 2.798 1.00 0.00 C HETATM 76 C76 UNL 1 -4.283 0.596 1.642 1.00 0.00 C HETATM 77 C77 UNL 1 -3.013 1.297 1.789 1.00 0.00 C HETATM 78 C78 UNL 1 -3.188 2.730 2.329 1.00 0.00 C HETATM 79 C79 UNL 1 -1.773 0.673 2.248 1.00 0.00 C HETATM 80 C80 UNL 1 -1.621 0.062 3.565 1.00 0.00 C HETATM 81 O1 UNL 1 -2.379 -1.032 3.896 1.00 0.00 O HETATM 82 P1 UNL 1 -2.014 -1.515 5.500 1.00 0.00 P HETATM 83 O2 UNL 1 -3.231 -1.419 6.385 1.00 0.00 O HETATM 84 O3 UNL 1 -0.852 -0.445 6.145 1.00 0.00 O HETATM 85 O4 UNL 1 -1.437 -3.075 5.491 1.00 0.00 O HETATM 86 C81 UNL 1 -2.207 -3.942 6.265 1.00 0.00 C HETATM 87 O5 UNL 1 -1.413 -4.377 7.323 1.00 0.00 O HETATM 88 C82 UNL 1 -0.186 -4.843 6.914 1.00 0.00 C HETATM 89 C83 UNL 1 0.910 -3.805 6.950 1.00 0.00 C HETATM 90 O6 UNL 1 1.101 -3.299 8.233 1.00 0.00 O HETATM 91 C84 UNL 1 -0.199 -5.484 5.562 1.00 0.00 C HETATM 92 O7 UNL 1 0.782 -6.469 5.483 1.00 0.00 O HETATM 93 C85 UNL 1 -1.537 -6.180 5.358 1.00 0.00 C HETATM 94 O8 UNL 1 -1.557 -6.744 4.103 1.00 0.00 O HETATM 95 C86 UNL 1 -2.638 -5.156 5.469 1.00 0.00 C HETATM 96 O9 UNL 1 -3.072 -4.758 4.189 1.00 0.00 O HETATM 97 H1 UNL 1 1.550 -1.565 -6.286 1.00 0.00 H HETATM 98 H2 UNL 1 0.956 -2.643 -7.629 1.00 0.00 H HETATM 99 H3 UNL 1 -0.195 -1.766 -6.510 1.00 0.00 H HETATM 100 H4 UNL 1 0.135 -0.515 -9.996 1.00 0.00 H HETATM 101 H5 UNL 1 -0.807 0.575 -8.949 1.00 0.00 H HETATM 102 H6 UNL 1 -1.063 -1.189 -8.784 1.00 0.00 H HETATM 103 H7 UNL 1 2.540 0.243 -7.195 1.00 0.00 H HETATM 104 H8 UNL 1 0.961 1.444 -9.628 1.00 0.00 H HETATM 105 H9 UNL 1 2.714 1.494 -9.433 1.00 0.00 H HETATM 106 H10 UNL 1 1.776 3.692 -8.817 1.00 0.00 H HETATM 107 H11 UNL 1 2.584 2.853 -7.416 1.00 0.00 H HETATM 108 H12 UNL 1 1.034 1.461 -5.848 1.00 0.00 H HETATM 109 H13 UNL 1 -0.175 2.616 -5.240 1.00 0.00 H HETATM 110 H14 UNL 1 -0.666 1.364 -6.399 1.00 0.00 H HETATM 111 H15 UNL 1 -0.118 4.622 -8.420 1.00 0.00 H HETATM 112 H16 UNL 1 -2.434 3.968 -7.586 1.00 0.00 H HETATM 113 H17 UNL 1 -1.773 3.484 -6.034 1.00 0.00 H HETATM 114 H18 UNL 1 -2.890 5.793 -6.114 1.00 0.00 H HETATM 115 H19 UNL 1 -1.812 6.232 -7.430 1.00 0.00 H HETATM 116 H20 UNL 1 -1.569 7.824 -4.210 1.00 0.00 H HETATM 117 H21 UNL 1 -2.186 8.030 -5.927 1.00 0.00 H HETATM 118 H22 UNL 1 -0.499 8.469 -5.496 1.00 0.00 H HETATM 119 H23 UNL 1 0.506 4.860 -5.170 1.00 0.00 H HETATM 120 H24 UNL 1 0.393 7.687 -3.925 1.00 0.00 H HETATM 121 H25 UNL 1 1.037 6.307 -3.054 1.00 0.00 H HETATM 122 H26 UNL 1 2.443 7.448 -5.555 1.00 0.00 H HETATM 123 H27 UNL 1 2.747 7.846 -3.800 1.00 0.00 H HETATM 124 H28 UNL 1 4.857 7.308 -5.223 1.00 0.00 H HETATM 125 H29 UNL 1 4.994 5.617 -5.746 1.00 0.00 H HETATM 126 H30 UNL 1 5.443 6.052 -4.050 1.00 0.00 H HETATM 127 H31 UNL 1 2.141 4.476 -3.608 1.00 0.00 H HETATM 128 H32 UNL 1 5.114 4.090 -4.436 1.00 0.00 H HETATM 129 H33 UNL 1 3.868 2.830 -4.517 1.00 0.00 H HETATM 130 H34 UNL 1 3.485 2.838 -2.142 1.00 0.00 H HETATM 131 H35 UNL 1 4.669 4.224 -1.895 1.00 0.00 H HETATM 132 H36 UNL 1 6.201 1.028 -3.949 1.00 0.00 H HETATM 133 H37 UNL 1 5.600 0.190 -2.423 1.00 0.00 H HETATM 134 H38 UNL 1 4.448 0.974 -3.590 1.00 0.00 H HETATM 135 H39 UNL 1 6.599 3.653 -1.201 1.00 0.00 H HETATM 136 H40 UNL 1 7.565 0.839 -2.157 1.00 0.00 H HETATM 137 H41 UNL 1 8.635 2.259 -2.023 1.00 0.00 H HETATM 138 H42 UNL 1 8.941 0.730 -0.120 1.00 0.00 H HETATM 139 H43 UNL 1 7.203 0.815 0.271 1.00 0.00 H HETATM 140 H44 UNL 1 9.044 4.544 -0.019 1.00 0.00 H HETATM 141 H45 UNL 1 10.089 3.708 1.159 1.00 0.00 H HETATM 142 H46 UNL 1 10.046 3.135 -0.544 1.00 0.00 H HETATM 143 H47 UNL 1 6.803 2.226 1.961 1.00 0.00 H HETATM 144 H48 UNL 1 8.232 3.989 3.509 1.00 0.00 H HETATM 145 H49 UNL 1 8.549 4.785 1.942 1.00 0.00 H HETATM 146 H50 UNL 1 6.202 5.021 1.459 1.00 0.00 H HETATM 147 H51 UNL 1 6.645 5.967 2.909 1.00 0.00 H HETATM 148 H52 UNL 1 4.012 5.721 2.662 1.00 0.00 H HETATM 149 H53 UNL 1 3.393 4.063 2.610 1.00 0.00 H HETATM 150 H54 UNL 1 3.636 4.941 4.203 1.00 0.00 H HETATM 151 H55 UNL 1 6.703 2.805 4.134 1.00 0.00 H HETATM 152 H56 UNL 1 4.520 2.905 5.778 1.00 0.00 H HETATM 153 H57 UNL 1 3.589 2.909 4.276 1.00 0.00 H HETATM 154 H58 UNL 1 3.459 0.677 4.936 1.00 0.00 H HETATM 155 H59 UNL 1 4.666 0.733 3.613 1.00 0.00 H HETATM 156 H60 UNL 1 7.516 -0.522 5.409 1.00 0.00 H HETATM 157 H61 UNL 1 7.125 0.549 4.081 1.00 0.00 H HETATM 158 H62 UNL 1 7.456 1.270 5.703 1.00 0.00 H HETATM 159 H63 UNL 1 4.021 -0.492 6.617 1.00 0.00 H HETATM 160 H64 UNL 1 5.651 -0.929 8.440 1.00 0.00 H HETATM 161 H65 UNL 1 7.045 -0.870 7.302 1.00 0.00 H HETATM 162 H66 UNL 1 4.743 -2.912 7.495 1.00 0.00 H HETATM 163 H67 UNL 1 6.313 -3.203 8.236 1.00 0.00 H HETATM 164 H68 UNL 1 8.119 -4.357 5.602 1.00 0.00 H HETATM 165 H69 UNL 1 8.285 -2.719 6.263 1.00 0.00 H HETATM 166 H70 UNL 1 7.647 -2.985 4.561 1.00 0.00 H HETATM 167 H71 UNL 1 4.312 -4.086 5.724 1.00 0.00 H HETATM 168 H72 UNL 1 5.445 -5.833 4.195 1.00 0.00 H HETATM 169 H73 UNL 1 6.873 -4.782 4.065 1.00 0.00 H HETATM 170 H74 UNL 1 5.683 -3.194 2.646 1.00 0.00 H HETATM 171 H75 UNL 1 5.695 -4.855 2.039 1.00 0.00 H HETATM 172 H76 UNL 1 3.598 -2.538 4.065 1.00 0.00 H HETATM 173 H77 UNL 1 2.187 -2.716 3.029 1.00 0.00 H HETATM 174 H78 UNL 1 2.399 -3.944 4.298 1.00 0.00 H HETATM 175 H79 UNL 1 3.790 -5.458 1.033 1.00 0.00 H HETATM 176 H80 UNL 1 1.422 -5.886 1.535 1.00 0.00 H HETATM 177 H81 UNL 1 1.171 -4.278 2.250 1.00 0.00 H HETATM 178 H82 UNL 1 1.892 -5.064 -0.666 1.00 0.00 H HETATM 179 H83 UNL 1 1.909 -3.375 -0.080 1.00 0.00 H HETATM 180 H84 UNL 1 -1.186 -2.478 -0.053 1.00 0.00 H HETATM 181 H85 UNL 1 -0.135 -2.804 1.414 1.00 0.00 H HETATM 182 H86 UNL 1 -1.602 -3.792 1.186 1.00 0.00 H HETATM 183 H87 UNL 1 -0.153 -5.673 -1.658 1.00 0.00 H HETATM 184 H88 UNL 1 -2.662 -5.663 -0.854 1.00 0.00 H HETATM 185 H89 UNL 1 -2.495 -3.892 -0.587 1.00 0.00 H HETATM 186 H90 UNL 1 -2.197 -5.439 -3.227 1.00 0.00 H HETATM 187 H91 UNL 1 -1.806 -3.707 -3.055 1.00 0.00 H HETATM 188 H92 UNL 1 -3.697 -3.218 -4.741 1.00 0.00 H HETATM 189 H93 UNL 1 -5.312 -4.090 -4.636 1.00 0.00 H HETATM 190 H94 UNL 1 -3.825 -4.953 -4.984 1.00 0.00 H HETATM 191 H95 UNL 1 -4.291 -4.469 -0.981 1.00 0.00 H HETATM 192 H96 UNL 1 -6.707 -5.040 -1.461 1.00 0.00 H HETATM 193 H97 UNL 1 -6.380 -3.426 -0.884 1.00 0.00 H HETATM 194 H98 UNL 1 -8.215 -3.692 -2.291 1.00 0.00 H HETATM 195 H99 UNL 1 -7.362 -4.061 -3.759 1.00 0.00 H HETATM 196 HA0 UNL 1 -5.055 -1.639 -3.288 1.00 0.00 H HETATM 197 HA1 UNL 1 -6.043 -0.295 -3.826 1.00 0.00 H HETATM 198 HA2 UNL 1 -5.833 -1.762 -4.891 1.00 0.00 H HETATM 199 HA3 UNL 1 -9.017 -1.781 -2.374 1.00 0.00 H HETATM 200 HA4 UNL 1 -7.757 0.538 -4.083 1.00 0.00 H HETATM 201 HA5 UNL 1 -9.429 0.233 -3.665 1.00 0.00 H HETATM 202 HA6 UNL 1 -8.604 2.136 -2.628 1.00 0.00 H HETATM 203 HA7 UNL 1 -7.278 1.339 -1.788 1.00 0.00 H HETATM 204 HA8 UNL 1 -11.057 -0.174 -0.868 1.00 0.00 H HETATM 205 HA9 UNL 1 -11.277 1.542 -0.494 1.00 0.00 H HETATM 206 HB0 UNL 1 -11.062 1.096 -2.199 1.00 0.00 H HETATM 207 HB1 UNL 1 -7.676 1.007 0.388 1.00 0.00 H HETATM 208 HB2 UNL 1 -10.640 0.359 1.048 1.00 0.00 H HETATM 209 HB3 UNL 1 -9.814 1.644 1.942 1.00 0.00 H HETATM 210 HB4 UNL 1 -9.544 -0.569 3.122 1.00 0.00 H HETATM 211 HB5 UNL 1 -8.780 -1.191 1.544 1.00 0.00 H HETATM 212 HB6 UNL 1 -8.671 1.824 3.582 1.00 0.00 H HETATM 213 HB7 UNL 1 -7.115 2.298 2.851 1.00 0.00 H HETATM 214 HB8 UNL 1 -7.146 1.277 4.398 1.00 0.00 H HETATM 215 HB9 UNL 1 -6.414 -1.202 1.800 1.00 0.00 H HETATM 216 HC0 UNL 1 -5.413 1.303 3.368 1.00 0.00 H HETATM 217 HC1 UNL 1 -4.768 -0.328 3.512 1.00 0.00 H HETATM 218 HC2 UNL 1 -4.876 1.111 0.804 1.00 0.00 H HETATM 219 HC3 UNL 1 -4.050 -0.401 1.134 1.00 0.00 H HETATM 220 HC4 UNL 1 -2.741 1.579 0.671 1.00 0.00 H HETATM 221 HC5 UNL 1 -2.279 3.276 2.072 1.00 0.00 H HETATM 222 HC6 UNL 1 -4.035 3.151 1.793 1.00 0.00 H HETATM 223 HC7 UNL 1 -3.367 2.752 3.396 1.00 0.00 H HETATM 224 HC8 UNL 1 -1.519 -0.135 1.471 1.00 0.00 H HETATM 225 HC9 UNL 1 -0.909 1.411 2.053 1.00 0.00 H HETATM 226 HD0 UNL 1 -1.663 0.791 4.418 1.00 0.00 H HETATM 227 HD1 UNL 1 -0.541 -0.305 3.633 1.00 0.00 H HETATM 228 HD2 UNL 1 -1.259 0.431 6.378 1.00 0.00 H HETATM 229 HD3 UNL 1 -3.101 -3.415 6.695 1.00 0.00 H HETATM 230 HD4 UNL 1 0.077 -5.672 7.640 1.00 0.00 H HETATM 231 HD5 UNL 1 0.761 -3.017 6.194 1.00 0.00 H HETATM 232 HD6 UNL 1 1.856 -4.328 6.669 1.00 0.00 H HETATM 233 HD7 UNL 1 1.669 -2.511 8.155 1.00 0.00 H HETATM 234 HD8 UNL 1 -0.041 -4.786 4.725 1.00 0.00 H HETATM 235 HD9 UNL 1 1.154 -6.553 4.552 1.00 0.00 H HETATM 236 HE0 UNL 1 -1.627 -6.981 6.114 1.00 0.00 H HETATM 237 HE1 UNL 1 -0.937 -7.516 4.023 1.00 0.00 H HETATM 238 HE2 UNL 1 -3.502 -5.648 6.000 1.00 0.00 H HETATM 239 HE3 UNL 1 -3.586 -5.503 3.835 1.00 0.00 H CONECT 1 2 97 98 99 CONECT 2 3 4 4 CONECT 3 100 101 102 CONECT 4 5 103 CONECT 5 6 104 105 CONECT 6 7 106 107 CONECT 7 8 9 9 CONECT 8 108 109 110 CONECT 9 10 111 CONECT 10 11 112 113 CONECT 11 12 114 115 CONECT 12 13 14 14 CONECT 13 116 117 118 CONECT 14 15 119 CONECT 15 16 120 121 CONECT 16 17 122 123 CONECT 17 18 19 19 CONECT 18 124 125 126 CONECT 19 20 127 CONECT 20 21 128 129 CONECT 21 22 130 131 CONECT 22 23 24 24 CONECT 23 132 133 134 CONECT 24 25 135 CONECT 25 26 136 137 CONECT 26 27 138 139 CONECT 27 28 29 29 CONECT 28 140 141 142 CONECT 29 30 143 CONECT 30 31 144 145 CONECT 31 32 146 147 CONECT 32 33 34 34 CONECT 33 148 149 150 CONECT 34 35 151 CONECT 35 36 152 153 CONECT 36 37 154 155 CONECT 37 38 39 39 CONECT 38 156 157 158 CONECT 39 40 159 CONECT 40 41 160 161 CONECT 41 42 162 163 CONECT 42 43 44 44 CONECT 43 164 165 166 CONECT 44 45 167 CONECT 45 46 168 169 CONECT 46 47 170 171 CONECT 47 48 49 49 CONECT 48 172 173 174 CONECT 49 50 175 CONECT 50 51 176 177 CONECT 51 52 178 179 CONECT 52 53 54 54 CONECT 53 180 181 182 CONECT 54 55 183 CONECT 55 56 184 185 CONECT 56 57 186 187 CONECT 57 58 59 59 CONECT 58 188 189 190 CONECT 59 60 191 CONECT 60 61 192 193 CONECT 61 62 194 195 CONECT 62 63 64 64 CONECT 63 196 197 198 CONECT 64 65 199 CONECT 65 66 200 201 CONECT 66 67 202 203 CONECT 67 68 69 69 CONECT 68 204 205 206 CONECT 69 70 207 CONECT 70 71 208 209 CONECT 71 72 210 211 CONECT 72 73 74 74 CONECT 73 212 213 214 CONECT 74 75 215 CONECT 75 76 216 217 CONECT 76 77 218 219 CONECT 77 78 79 220 CONECT 78 221 222 223 CONECT 79 80 224 225 CONECT 80 81 226 227 CONECT 81 82 CONECT 82 83 83 84 85 CONECT 84 228 CONECT 85 86 CONECT 86 87 95 229 CONECT 87 88 CONECT 88 89 91 230 CONECT 89 90 231 232 CONECT 90 233 CONECT 91 92 93 234 CONECT 92 235 CONECT 93 94 95 236 CONECT 94 237 CONECT 95 96 238 CONECT 96 239 END SMILES for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)OC[C@H]1O[C@@H](OP(=O)(O)OCCC(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)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O INCHI for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate)InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1 3D Structure for HMDB0012218 (Dolichyl beta-D-mannosyl phosphate) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C86H143O9P | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1352.024 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1351.046972686 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | {[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | OC[C@H]1O[C@@H](OP(=O)(O)OCCC(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)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | YRJQNWAWJNIMPJ-HNEPGKAWSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as dolichyl monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a dolichyl moiety. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Polyprenols | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Dolichyl monophosphates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic 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 | FDB028862 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 35032419 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | CPD-171 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 53481390 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | 17624 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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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Enzymes
- General function:
- Cell wall/membrane/envelope biogenesis
- Specific function:
- Transfers mannose from GDP-mannose to dolichol monophosphate to form dolichol phosphate mannose (Dol-P-Man) which is the mannosyl donor in pathways leading to N-glycosylation, glycosyl phosphatidylinositol membrane anchoring, and O-mannosylation of proteins.
- Gene Name:
- DPM1
- Uniprot ID:
- O60762
- Molecular weight:
- 29633.995
Reactions
| Guanosine diphosphate mannose + Dolichol-20 → Guanosine diphosphate + Dolichyl beta-D-mannosyl phosphate | details |