Showing metabocard for Sorgen 30 (HMDB0303628)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2021-09-24 03:23:09 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-24 03:23:09 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0303628 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Sorgen 30 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | bis((2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol); tris((9Z)-octadec-9-enoic acid), also known as arlacel 83, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Based on a literature review very few articles have been published on bis((2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol); tris((9Z)-octadec-9-enoic acid). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for HMDB0303628 (Sorgen 30)
Mrv1533007131513522D
98 93 0 0 1 0 999 V2000
-4.4167 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7023 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for HMDB0303628 (Sorgen 30)HMDB0303628
RDKit 3D
Sorgen 30
214209 0 0 0 0 0 0 0 0999 V2000
6.6909 -1.7527 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.7663 0.2534 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8252 1.0893 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4957 1.6278 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7377 0.8810 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3457 1.5748 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6403 0.8106 1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0933 -1.1432 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2330 0.5943 -2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9313 0.3412 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2513 -1.8635 -2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0385 -2.0572 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4763 -0.7450 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4381 -2.3788 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8734 -1.4523 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8222 0.1825 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2647 -0.1713 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2140 -1.7758 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8145 -0.8325 2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3604 -0.3432 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7631 2.6373 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9077 3.1180 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5312 1.8478 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6357 1.8369 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3790 1.7589 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2990 0.7193 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0011 -0.6361 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5954 0.4285 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9049 -1.1705 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4972 -0.1323 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2027 -2.6711 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5278 -2.6155 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4562 -2.6826 2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3700 -1.2575 2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9402 0.3093 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1170 -0.5872 2.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3429 -0.3539 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0464 -2.1094 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -1.8523 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5537 -0.3952 -2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0519 0.8742 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3612 1.7067 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5126 0.2963 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5815 1.3099 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 -1.0279 -2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8491 -1.6686 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2952 -1.4967 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -2.3067 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1209 -0.5477 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -1.0475 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0490 0.8558 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5470 1.5509 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1805 1.2199 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6127 2.6859 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2272 1.9506 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9013 1.0983 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3183 -0.4993 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 -1.2646 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5721 1.4824 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7553 0.0562 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0043 -0.3876 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -1.2039 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7612 1.7062 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0009 0.1983 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5669 0.9082 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7837 -1.5796 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7902 1.0840 1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8462 -0.1388 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 -1.3671 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4330 1.5108 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0670 0.2270 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4193 0.7789 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5659 -1.5871 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8983 -1.4343 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0974 0.2508 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 -2.4442 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 -1.4773 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 0.1219 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1103 1.5316 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3858 0.3602 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1235 -0.3258 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1855 0.1047 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 1.9203 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 2 0
38 40 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 2 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 2 0
58 60 1 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 0
65 66 1 0
65 67 1 0
67 68 1 0
67 69 1 0
69 70 1 0
69 71 1 0
71 72 1 0
73 74 1 0
74 75 1 0
75 76 1 0
75 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
79 81 1 0
81 82 1 0
81 83 1 0
83 84 1 0
1 85 1 0
1 86 1 0
1 87 1 0
2 88 1 0
2 89 1 0
3 90 1 0
3 91 1 0
4 92 1 0
4 93 1 0
5 94 1 0
5 95 1 0
6 96 1 0
6 97 1 0
7 98 1 0
7 99 1 0
8100 1 0
8101 1 0
9102 1 0
10103 1 0
11104 1 0
11105 1 0
12106 1 0
12107 1 0
13108 1 0
13109 1 0
14110 1 0
14111 1 0
15112 1 0
15113 1 0
16114 1 0
16115 1 0
17116 1 0
17117 1 0
20118 1 0
21119 1 0
21120 1 0
21121 1 0
22122 1 0
22123 1 0
23124 1 0
23125 1 0
24126 1 0
24127 1 0
25128 1 0
25129 1 0
26130 1 0
26131 1 0
27132 1 0
27133 1 0
28134 1 0
28135 1 0
29136 1 0
30137 1 0
31138 1 0
31139 1 0
32140 1 0
32141 1 0
33142 1 0
33143 1 0
34144 1 0
34145 1 0
35146 1 0
35147 1 0
36148 1 0
36149 1 0
37150 1 0
37151 1 0
40152 1 0
41153 1 0
41154 1 0
41155 1 0
42156 1 0
42157 1 0
43158 1 0
43159 1 0
44160 1 0
44161 1 0
45162 1 0
45163 1 0
46164 1 0
46165 1 0
47166 1 0
47167 1 0
48168 1 0
48169 1 0
49170 1 0
50171 1 0
51172 1 0
51173 1 0
52174 1 0
52175 1 0
53176 1 0
53177 1 0
54178 1 0
54179 1 0
55180 1 0
55181 1 0
56182 1 0
56183 1 0
57184 1 0
57185 1 0
60186 1 0
61187 1 0
62188 1 0
62189 1 0
63190 1 1
64191 1 0
65192 1 1
66193 1 0
67194 1 1
68195 1 0
69196 1 6
70197 1 0
71198 1 0
71199 1 0
72200 1 0
73201 1 0
74202 1 0
74203 1 0
75204 1 1
76205 1 0
77206 1 6
78207 1 0
79208 1 1
80209 1 0
81210 1 6
82211 1 0
83212 1 0
83213 1 0
84214 1 0
M END
3D SDF for HMDB0303628 (Sorgen 30)
Mrv1533007131513522D
98 93 0 0 1 0 999 V2000
-4.4167 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7023 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7023 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5588 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5588 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0135 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7280 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4425 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1569 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5859 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9430 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6575 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6575 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3719 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3719 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8009 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8009 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5154 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2298 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9443 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6588 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3732 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0877 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8022 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2311 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9456 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2311 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3027 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0172 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0172 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7317 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7317 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4462 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4462 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1606 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1606 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.8751 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5896 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3040 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.0185 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.7330 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.4475 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.1619 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.8764 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.5909 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.3053 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.5909 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0717 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3572 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3572 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5006 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1008 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6732 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8153 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9587 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5298 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2442 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3864 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3877 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8153 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9587 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5298 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2442 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5154 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4462 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23.8751 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8153 -4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9587 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5298 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2442 -4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
4 3 1 0 0 0 0
5 4 1 0 0 0 0
6 5 1 0 0 0 0
7 6 1 0 0 0 0
8 7 1 0 0 0 0
9 8 1 0 0 0 0
10 9 2 0 0 0 0
11 10 1 0 0 0 0
12 11 1 0 0 0 0
13 12 1 0 0 0 0
14 13 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 18 2 0 0 0 0
20 18 1 0 0 0 0
22 21 1 0 0 0 0
23 22 1 0 0 0 0
24 23 1 0 0 0 0
25 24 1 0 0 0 0
26 25 1 0 0 0 0
27 26 1 0 0 0 0
28 27 1 0 0 0 0
29 28 1 0 0 0 0
30 29 2 0 0 0 0
31 30 1 0 0 0 0
32 31 1 0 0 0 0
33 32 1 0 0 0 0
34 33 1 0 0 0 0
35 34 1 0 0 0 0
36 35 1 0 0 0 0
37 36 1 0 0 0 0
38 37 1 0 0 0 0
39 38 2 0 0 0 0
40 38 1 0 0 0 0
42 41 1 0 0 0 0
43 42 1 0 0 0 0
44 43 1 0 0 0 0
45 44 1 0 0 0 0
46 45 1 0 0 0 0
47 46 1 0 0 0 0
48 47 1 0 0 0 0
49 48 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 52 1 0 0 0 0
54 53 1 0 0 0 0
55 54 1 0 0 0 0
56 55 1 0 0 0 0
57 56 1 0 0 0 0
58 57 1 0 0 0 0
59 58 2 0 0 0 0
60 58 1 0 0 0 0
63 61 1 0 0 0 0
64 62 1 0 0 0 0
65 63 1 0 0 0 0
66 64 1 0 0 0 0
66 65 1 0 0 0 0
67 61 1 0 0 0 0
68 62 1 0 0 0 0
63 69 1 1 0 0 0
64 70 1 6 0 0 0
65 71 1 6 0 0 0
66 72 1 6 0 0 0
75 73 1 0 0 0 0
76 74 1 0 0 0 0
77 75 1 0 0 0 0
78 76 1 0 0 0 0
78 77 1 0 0 0 0
79 73 1 0 0 0 0
80 74 1 0 0 0 0
75 81 1 1 0 0 0
76 82 1 6 0 0 0
77 83 1 6 0 0 0
78 84 1 6 0 0 0
85 9 1 0 0 0 0
86 10 1 0 0 0 0
87 29 1 0 0 0 0
88 30 1 0 0 0 0
89 49 1 0 0 0 0
90 50 1 0 0 0 0
63 91 1 1 0 0 0
64 92 1 6 0 0 0
65 93 1 6 0 0 0
66 94 1 6 0 0 0
75 95 1 1 0 0 0
76 96 1 6 0 0 0
77 97 1 6 0 0 0
78 98 1 6 0 0 0
M END
> <DATABASE_ID>
HMDB0303628
> <DATABASE_NAME>
hmdb
> <SMILES>
[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1
> <INCHI_KEY>
CUNWUEBNSZSNRX-RKGWDQTMSA-N
> <FORMULA>
C66H130O18
> <MOLECULAR_WEIGHT>
1211.748
> <EXACT_MASS>
1210.925717346
> <JCHEM_ACCEPTOR_COUNT>
2
> <JCHEM_ATOM_COUNT>
214
> <JCHEM_AVERAGE_POLARIZABILITY>
37.072103803321895
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
1
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
bis((2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol); tris((9Z)-octadec-9-enoic acid)
> <ALOGPS_LOGP>
7.68
> <JCHEM_LOGP>
6.783798451000001
> <ALOGPS_LOGS>
-6.37
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.988167283903808
> <JCHEM_POLAR_SURFACE_AREA>
37.3
> <JCHEM_REFRACTIVITY>
87.4022
> <JCHEM_ROTATABLE_BOND_COUNT>
55
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.21e-04 g/l
> <JCHEM_TRADITIONAL_IUPAC>
bis(D-sorbitol); tris(oleic acid)
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0303628 (Sorgen 30)HMDB0303628
RDKit 3D
Sorgen 30
214209 0 0 0 0 0 0 0 0999 V2000
6.6909 -1.7527 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5103 -1.2298 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7663 0.2534 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8800 1.0415 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8252 1.0893 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4957 1.6278 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7377 0.8810 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3457 1.5748 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for HMDB0303628 (Sorgen 30)HEADER PROTEIN 13-JUL-15 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 13-JUL-15 0 HETATM 1 C UNK 0 -8.245 7.700 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.911 6.930 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.911 5.390 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.577 4.620 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.577 3.080 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.244 2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.244 0.770 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.910 -0.000 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.910 -1.540 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.576 -2.310 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.242 -1.540 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 1.091 -2.310 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 2.425 -1.540 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.759 -2.310 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 5.092 -1.540 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 6.426 -2.310 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 7.760 -1.540 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 9.093 -2.310 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 10.427 -1.540 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 9.093 -3.850 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 14.827 7.700 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 16.161 6.930 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 16.161 5.390 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 17.494 4.620 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 17.494 3.080 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 18.828 2.310 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 18.828 0.770 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 20.162 -0.000 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 20.162 -1.540 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 21.495 -2.310 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 22.829 -1.540 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 24.163 -2.310 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 25.496 -1.540 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 26.830 -2.310 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 28.164 -1.540 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 29.497 -2.310 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 30.831 -1.540 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 32.165 -2.310 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 33.498 -1.540 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 32.165 -3.850 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 37.898 7.700 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 39.232 6.930 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 39.232 5.390 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 40.566 4.620 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 40.566 3.080 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 41.899 2.310 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 41.899 0.770 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 43.233 -0.000 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 43.233 -1.540 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 44.567 -2.310 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 45.901 -1.540 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 47.234 -2.310 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 48.568 -1.540 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 49.902 -2.310 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 51.235 -1.540 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 52.569 -2.310 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 53.903 -1.540 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 55.236 -2.310 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 56.570 -1.540 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 55.236 -3.850 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 -3.334 -8.470 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 3.334 -9.240 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.001 -9.240 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 2.001 -8.470 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.667 -8.470 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 0.667 -9.240 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 -4.668 -9.240 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 4.668 -8.470 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 -2.001 -10.780 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 2.001 -6.930 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 -0.667 -6.930 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 0.667 -10.780 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 9.522 -8.470 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 16.190 -9.240 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 10.855 -9.240 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 14.856 -8.470 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 12.189 -8.470 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 13.523 -9.240 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 8.188 -9.240 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 17.524 -8.470 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 10.855 -10.780 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 14.856 -6.930 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 12.189 -6.930 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 13.523 -10.780 0.000 0.00 0.00 O+0 HETATM 85 H UNK 0 -4.244 -2.310 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.576 -3.850 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 18.828 -2.310 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 21.495 -3.850 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 41.899 -2.310 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 44.567 -3.850 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.001 -7.700 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 2.001 -10.010 0.000 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.667 -10.010 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 0.667 -7.700 0.000 0.00 0.00 H+0 HETATM 95 H UNK 0 10.855 -7.700 0.000 0.00 0.00 H+0 HETATM 96 H UNK 0 14.856 -10.010 0.000 0.00 0.00 H+0 HETATM 97 H UNK 0 12.189 -10.010 0.000 0.00 0.00 H+0 HETATM 98 H UNK 0 13.523 -7.700 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 85 CONECT 10 9 11 86 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 CONECT 21 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 87 CONECT 30 29 31 88 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 CONECT 41 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 48 50 89 CONECT 50 49 51 90 CONECT 51 50 52 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 CONECT 61 63 67 CONECT 62 64 68 CONECT 63 61 65 69 91 CONECT 64 62 66 70 92 CONECT 65 63 66 71 93 CONECT 66 64 65 72 94 CONECT 67 61 CONECT 68 62 CONECT 69 63 CONECT 70 64 CONECT 71 65 CONECT 72 66 CONECT 73 75 79 CONECT 74 76 80 CONECT 75 73 77 81 95 CONECT 76 74 78 82 96 CONECT 77 75 78 83 97 CONECT 78 76 77 84 98 CONECT 79 73 CONECT 80 74 CONECT 81 75 CONECT 82 76 CONECT 83 77 CONECT 84 78 CONECT 85 9 CONECT 86 10 CONECT 87 29 CONECT 88 30 CONECT 89 49 CONECT 90 50 CONECT 91 63 CONECT 92 64 CONECT 93 65 CONECT 94 66 CONECT 95 75 CONECT 96 76 CONECT 97 77 CONECT 98 78 MASTER 0 0 0 0 0 0 0 0 98 0 186 0 END 3D PDB for HMDB0303628 (Sorgen 30)COMPND HMDB0303628 HETATM 1 C1 UNL 1 6.691 -1.753 0.062 1.00 0.00 C HETATM 2 C2 UNL 1 5.510 -1.230 0.864 1.00 0.00 C HETATM 3 C3 UNL 1 5.766 0.253 1.078 1.00 0.00 C HETATM 4 C4 UNL 1 5.880 1.041 -0.155 1.00 0.00 C HETATM 5 C5 UNL 1 4.825 1.089 -1.159 1.00 0.00 C HETATM 6 C6 UNL 1 3.496 1.628 -0.832 1.00 0.00 C HETATM 7 C7 UNL 1 2.738 0.881 0.194 1.00 0.00 C HETATM 8 C8 UNL 1 1.346 1.575 0.350 1.00 0.00 C HETATM 9 C9 UNL 1 0.640 0.811 1.369 1.00 0.00 C HETATM 10 C10 UNL 1 -0.488 0.210 1.125 1.00 0.00 C HETATM 11 C11 UNL 1 -1.221 0.192 -0.159 1.00 0.00 C HETATM 12 C12 UNL 1 -2.576 0.811 0.095 1.00 0.00 C HETATM 13 C13 UNL 1 -3.443 0.863 -1.113 1.00 0.00 C HETATM 14 C14 UNL 1 -3.751 -0.468 -1.717 1.00 0.00 C HETATM 15 C15 UNL 1 -4.469 -1.397 -0.767 1.00 0.00 C HETATM 16 C16 UNL 1 -5.766 -0.790 -0.341 1.00 0.00 C HETATM 17 C17 UNL 1 -6.530 -1.699 0.621 1.00 0.00 C HETATM 18 C18 UNL 1 -7.775 -0.990 0.961 1.00 0.00 C HETATM 19 O1 UNL 1 -7.745 -0.015 1.738 1.00 0.00 O HETATM 20 O2 UNL 1 -8.973 -1.400 0.425 1.00 0.00 O HETATM 21 C19 UNL 1 -7.409 0.298 2.052 1.00 0.00 C HETATM 22 C20 UNL 1 -7.453 -0.338 0.685 1.00 0.00 C HETATM 23 C21 UNL 1 -7.078 0.663 -0.377 1.00 0.00 C HETATM 24 C22 UNL 1 -5.686 1.209 -0.171 1.00 0.00 C HETATM 25 C23 UNL 1 -4.726 0.052 -0.224 1.00 0.00 C HETATM 26 C24 UNL 1 -3.326 0.584 -0.020 1.00 0.00 C HETATM 27 C25 UNL 1 -2.343 -0.554 -0.068 1.00 0.00 C HETATM 28 C26 UNL 1 -0.910 -0.088 0.133 1.00 0.00 C HETATM 29 C27 UNL 1 -0.486 0.869 -0.892 1.00 0.00 C HETATM 30 C28 UNL 1 0.500 0.764 -1.751 1.00 0.00 C HETATM 31 C29 UNL 1 1.353 -0.412 -1.786 1.00 0.00 C HETATM 32 C30 UNL 1 2.825 -0.078 -1.529 1.00 0.00 C HETATM 33 C31 UNL 1 3.546 -1.400 -1.604 1.00 0.00 C HETATM 34 C32 UNL 1 5.013 -1.342 -1.398 1.00 0.00 C HETATM 35 C33 UNL 1 5.309 -0.781 -0.023 1.00 0.00 C HETATM 36 C34 UNL 1 6.798 -0.744 0.163 1.00 0.00 C HETATM 37 C35 UNL 1 7.248 -0.211 1.487 1.00 0.00 C HETATM 38 C36 UNL 1 6.843 1.171 1.743 1.00 0.00 C HETATM 39 O3 UNL 1 6.212 1.826 0.878 1.00 0.00 O HETATM 40 O4 UNL 1 7.130 1.832 2.943 1.00 0.00 O HETATM 41 C37 UNL 1 -4.608 2.040 -0.650 1.00 0.00 C HETATM 42 C38 UNL 1 -5.699 1.157 -0.091 1.00 0.00 C HETATM 43 C39 UNL 1 -5.128 0.006 0.713 1.00 0.00 C HETATM 44 C40 UNL 1 -4.249 -0.803 -0.217 1.00 0.00 C HETATM 45 C41 UNL 1 -3.623 -1.981 0.475 1.00 0.00 C HETATM 46 C42 UNL 1 -2.757 -1.663 1.621 1.00 0.00 C HETATM 47 C43 UNL 1 -1.606 -0.774 1.484 1.00 0.00 C HETATM 48 C44 UNL 1 -0.468 -1.078 0.579 1.00 0.00 C HETATM 49 C45 UNL 1 -0.789 -1.118 -0.825 1.00 0.00 C HETATM 50 C46 UNL 1 -0.248 -0.301 -1.714 1.00 0.00 C HETATM 51 C47 UNL 1 0.736 0.740 -1.409 1.00 0.00 C HETATM 52 C48 UNL 1 1.978 0.424 -2.257 1.00 0.00 C HETATM 53 C49 UNL 1 2.610 -0.869 -1.994 1.00 0.00 C HETATM 54 C50 UNL 1 3.124 -1.251 -0.680 1.00 0.00 C HETATM 55 C51 UNL 1 4.198 -0.474 -0.013 1.00 0.00 C HETATM 56 C52 UNL 1 3.853 0.917 0.346 1.00 0.00 C HETATM 57 C53 UNL 1 4.997 1.638 1.052 1.00 0.00 C HETATM 58 C54 UNL 1 6.215 1.748 0.250 1.00 0.00 C HETATM 59 O5 UNL 1 6.400 1.347 -0.911 1.00 0.00 O HETATM 60 O6 UNL 1 7.307 2.382 0.862 1.00 0.00 O HETATM 61 O7 UNL 1 -3.859 0.381 1.104 1.00 0.00 O HETATM 62 C55 UNL 1 -2.661 -0.326 1.039 1.00 0.00 C HETATM 63 C56 UNL 1 -1.655 0.515 0.280 1.00 0.00 C HETATM 64 O8 UNL 1 -2.122 0.772 -1.008 1.00 0.00 O HETATM 65 C57 UNL 1 -0.297 -0.183 0.235 1.00 0.00 C HETATM 66 O9 UNL 1 -0.497 -1.372 -0.457 1.00 0.00 O HETATM 67 C58 UNL 1 0.632 0.748 -0.507 1.00 0.00 C HETATM 68 O10 UNL 1 0.041 1.018 -1.738 1.00 0.00 O HETATM 69 C59 UNL 1 2.014 0.159 -0.692 1.00 0.00 C HETATM 70 O11 UNL 1 2.019 -1.022 -1.398 1.00 0.00 O HETATM 71 C60 UNL 1 2.777 0.086 0.600 1.00 0.00 C HETATM 72 O12 UNL 1 2.280 -0.867 1.475 1.00 0.00 O HETATM 73 O13 UNL 1 2.474 1.576 0.310 1.00 0.00 O HETATM 74 C61 UNL 1 2.099 0.514 1.129 1.00 0.00 C HETATM 75 C62 UNL 1 1.773 -0.724 0.329 1.00 0.00 C HETATM 76 O14 UNL 1 3.062 -1.006 -0.289 1.00 0.00 O HETATM 77 C63 UNL 1 0.796 -0.522 -0.799 1.00 0.00 C HETATM 78 O15 UNL 1 0.969 -1.785 -1.533 1.00 0.00 O HETATM 79 C64 UNL 1 -0.658 -0.587 -0.473 1.00 0.00 C HETATM 80 O16 UNL 1 -1.243 -0.766 -1.808 1.00 0.00 O HETATM 81 C65 UNL 1 -1.326 0.667 -0.027 1.00 0.00 C HETATM 82 O17 UNL 1 -1.011 1.033 1.256 1.00 0.00 O HETATM 83 C66 UNL 1 -2.850 0.442 -0.030 1.00 0.00 C HETATM 84 O18 UNL 1 -3.494 1.620 0.334 1.00 0.00 O HETATM 85 H1 UNL 1 7.620 -1.340 0.531 1.00 0.00 H HETATM 86 H2 UNL 1 6.695 -2.845 0.150 1.00 0.00 H HETATM 87 H3 UNL 1 6.596 -1.370 -0.961 1.00 0.00 H HETATM 88 H4 UNL 1 5.457 -1.696 1.875 1.00 0.00 H HETATM 89 H5 UNL 1 4.563 -1.351 0.326 1.00 0.00 H HETATM 90 H6 UNL 1 5.191 0.606 1.915 1.00 0.00 H HETATM 91 H7 UNL 1 6.868 0.220 1.499 1.00 0.00 H HETATM 92 H8 UNL 1 6.846 0.706 -0.688 1.00 0.00 H HETATM 93 H9 UNL 1 6.151 2.112 0.140 1.00 0.00 H HETATM 94 H10 UNL 1 4.688 0.070 -1.668 1.00 0.00 H HETATM 95 H11 UNL 1 5.184 1.725 -2.060 1.00 0.00 H HETATM 96 H12 UNL 1 2.834 1.617 -1.763 1.00 0.00 H HETATM 97 H13 UNL 1 3.598 2.724 -0.572 1.00 0.00 H HETATM 98 H14 UNL 1 3.229 0.907 1.157 1.00 0.00 H HETATM 99 H15 UNL 1 2.487 -0.124 -0.182 1.00 0.00 H HETATM 100 H16 UNL 1 0.921 1.654 -0.634 1.00 0.00 H HETATM 101 H17 UNL 1 1.635 2.579 0.781 1.00 0.00 H HETATM 102 H18 UNL 1 1.096 0.758 2.360 1.00 0.00 H HETATM 103 H19 UNL 1 -0.940 -0.344 1.974 1.00 0.00 H HETATM 104 H20 UNL 1 -0.705 0.585 -1.022 1.00 0.00 H HETATM 105 H21 UNL 1 -1.369 -0.910 -0.387 1.00 0.00 H HETATM 106 H22 UNL 1 -3.026 0.311 0.958 1.00 0.00 H HETATM 107 H23 UNL 1 -2.378 1.870 0.405 1.00 0.00 H HETATM 108 H24 UNL 1 -4.387 1.367 -0.861 1.00 0.00 H HETATM 109 H25 UNL 1 -2.922 1.490 -1.877 1.00 0.00 H HETATM 110 H26 UNL 1 -2.873 -0.953 -2.185 1.00 0.00 H HETATM 111 H27 UNL 1 -4.469 -0.281 -2.563 1.00 0.00 H HETATM 112 H28 UNL 1 -4.712 -2.323 -1.356 1.00 0.00 H HETATM 113 H29 UNL 1 -3.861 -1.634 0.132 1.00 0.00 H HETATM 114 H30 UNL 1 -6.420 -0.601 -1.192 1.00 0.00 H HETATM 115 H31 UNL 1 -5.536 0.123 0.266 1.00 0.00 H HETATM 116 H32 UNL 1 -6.798 -2.665 0.150 1.00 0.00 H HETATM 117 H33 UNL 1 -5.934 -1.859 1.554 1.00 0.00 H HETATM 118 H34 UNL 1 -9.484 -0.742 -0.165 1.00 0.00 H HETATM 119 H35 UNL 1 -7.476 1.409 2.010 1.00 0.00 H HETATM 120 H36 UNL 1 -8.280 -0.052 2.647 1.00 0.00 H HETATM 121 H37 UNL 1 -6.504 0.017 2.620 1.00 0.00 H HETATM 122 H38 UNL 1 -8.520 -0.629 0.475 1.00 0.00 H HETATM 123 H39 UNL 1 -6.875 -1.271 0.643 1.00 0.00 H HETATM 124 H40 UNL 1 -7.144 0.184 -1.372 1.00 0.00 H HETATM 125 H41 UNL 1 -7.817 1.484 -0.328 1.00 0.00 H HETATM 126 H42 UNL 1 -5.646 1.722 0.807 1.00 0.00 H HETATM 127 H43 UNL 1 -5.460 1.879 -1.020 1.00 0.00 H HETATM 128 H44 UNL 1 -4.919 -0.698 0.565 1.00 0.00 H HETATM 129 H45 UNL 1 -4.770 -0.387 -1.244 1.00 0.00 H HETATM 130 H46 UNL 1 -3.219 1.085 0.952 1.00 0.00 H HETATM 131 H47 UNL 1 -3.045 1.312 -0.813 1.00 0.00 H HETATM 132 H48 UNL 1 -2.447 -1.155 -0.980 1.00 0.00 H HETATM 133 H49 UNL 1 -2.586 -1.224 0.795 1.00 0.00 H HETATM 134 H50 UNL 1 -0.311 -0.992 0.252 1.00 0.00 H HETATM 135 H51 UNL 1 -0.846 0.419 1.149 1.00 0.00 H HETATM 136 H52 UNL 1 -1.079 1.818 -0.951 1.00 0.00 H HETATM 137 H53 UNL 1 0.649 1.616 -2.448 1.00 0.00 H HETATM 138 H54 UNL 1 1.361 -0.848 -2.812 1.00 0.00 H HETATM 139 H55 UNL 1 1.093 -1.143 -1.017 1.00 0.00 H HETATM 140 H56 UNL 1 3.233 0.594 -2.294 1.00 0.00 H HETATM 141 H57 UNL 1 2.931 0.341 -0.489 1.00 0.00 H HETATM 142 H58 UNL 1 3.251 -1.863 -2.578 1.00 0.00 H HETATM 143 H59 UNL 1 3.038 -2.057 -0.838 1.00 0.00 H HETATM 144 H60 UNL 1 5.476 -0.745 -2.194 1.00 0.00 H HETATM 145 H61 UNL 1 5.438 -2.379 -1.405 1.00 0.00 H HETATM 146 H62 UNL 1 4.873 -1.452 0.775 1.00 0.00 H HETATM 147 H63 UNL 1 4.822 0.183 0.111 1.00 0.00 H HETATM 148 H64 UNL 1 7.265 -0.171 -0.672 1.00 0.00 H HETATM 149 H65 UNL 1 7.214 -1.776 0.070 1.00 0.00 H HETATM 150 H66 UNL 1 6.814 -0.832 2.320 1.00 0.00 H HETATM 151 H67 UNL 1 8.360 -0.343 1.583 1.00 0.00 H HETATM 152 H68 UNL 1 7.763 2.637 2.858 1.00 0.00 H HETATM 153 H69 UNL 1 -4.908 3.118 -0.518 1.00 0.00 H HETATM 154 H70 UNL 1 -4.531 1.848 -1.738 1.00 0.00 H HETATM 155 H71 UNL 1 -3.636 1.837 -0.164 1.00 0.00 H HETATM 156 H72 UNL 1 -6.379 1.759 0.554 1.00 0.00 H HETATM 157 H73 UNL 1 -6.299 0.719 -0.908 1.00 0.00 H HETATM 158 H74 UNL 1 -6.001 -0.636 0.999 1.00 0.00 H HETATM 159 H75 UNL 1 -4.595 0.428 1.567 1.00 0.00 H HETATM 160 H76 UNL 1 -4.905 -1.170 -1.032 1.00 0.00 H HETATM 161 H77 UNL 1 -3.497 -0.132 -0.675 1.00 0.00 H HETATM 162 H78 UNL 1 -3.203 -2.671 -0.251 1.00 0.00 H HETATM 163 H79 UNL 1 -4.528 -2.616 0.880 1.00 0.00 H HETATM 164 H80 UNL 1 -2.456 -2.683 2.065 1.00 0.00 H HETATM 165 H81 UNL 1 -3.370 -1.257 2.508 1.00 0.00 H HETATM 166 H82 UNL 1 -1.940 0.309 1.253 1.00 0.00 H HETATM 167 H83 UNL 1 -1.117 -0.587 2.515 1.00 0.00 H HETATM 168 H84 UNL 1 0.343 -0.354 0.826 1.00 0.00 H HETATM 169 H85 UNL 1 -0.046 -2.109 0.916 1.00 0.00 H HETATM 170 H86 UNL 1 -1.494 -1.852 -1.254 1.00 0.00 H HETATM 171 H87 UNL 1 -0.554 -0.395 -2.795 1.00 0.00 H HETATM 172 H88 UNL 1 1.052 0.874 -0.390 1.00 0.00 H HETATM 173 H89 UNL 1 0.361 1.707 -1.870 1.00 0.00 H HETATM 174 H90 UNL 1 1.513 0.296 -3.333 1.00 0.00 H HETATM 175 H91 UNL 1 2.581 1.310 -2.409 1.00 0.00 H HETATM 176 H92 UNL 1 3.421 -1.028 -2.773 1.00 0.00 H HETATM 177 H93 UNL 1 1.849 -1.669 -2.328 1.00 0.00 H HETATM 178 H94 UNL 1 2.295 -1.497 0.054 1.00 0.00 H HETATM 179 H95 UNL 1 3.582 -2.307 -0.817 1.00 0.00 H HETATM 180 H96 UNL 1 5.121 -0.548 -0.652 1.00 0.00 H HETATM 181 H97 UNL 1 4.481 -1.048 0.922 1.00 0.00 H HETATM 182 H98 UNL 1 3.049 0.856 1.143 1.00 0.00 H HETATM 183 H99 UNL 1 3.547 1.551 -0.483 1.00 0.00 H HETATM 184 HA0 UNL 1 5.181 1.220 2.067 1.00 0.00 H HETATM 185 HA1 UNL 1 4.613 2.686 1.225 1.00 0.00 H HETATM 186 HA2 UNL 1 8.227 1.951 0.875 1.00 0.00 H HETATM 187 HA3 UNL 1 -3.901 1.098 0.434 1.00 0.00 H HETATM 188 HA4 UNL 1 -2.318 -0.499 2.064 1.00 0.00 H HETATM 189 HA5 UNL 1 -2.860 -1.265 0.481 1.00 0.00 H HETATM 190 HA6 UNL 1 -1.572 1.482 0.815 1.00 0.00 H HETATM 191 HA7 UNL 1 -2.755 0.056 -1.293 1.00 0.00 H HETATM 192 HA8 UNL 1 0.004 -0.388 1.265 1.00 0.00 H HETATM 193 HA9 UNL 1 -1.071 -1.204 -1.255 1.00 0.00 H HETATM 194 HB0 UNL 1 0.761 1.706 0.033 1.00 0.00 H HETATM 195 HB1 UNL 1 0.001 0.198 -2.299 1.00 0.00 H HETATM 196 HB2 UNL 1 2.567 0.908 -1.332 1.00 0.00 H HETATM 197 HB3 UNL 1 2.784 -1.580 -1.105 1.00 0.00 H HETATM 198 HB4 UNL 1 2.790 1.084 1.068 1.00 0.00 H HETATM 199 HB5 UNL 1 3.846 -0.139 0.341 1.00 0.00 H HETATM 200 HB6 UNL 1 3.051 -1.367 1.850 1.00 0.00 H HETATM 201 HB7 UNL 1 3.433 1.511 0.054 1.00 0.00 H HETATM 202 HB8 UNL 1 3.067 0.227 1.709 1.00 0.00 H HETATM 203 HB9 UNL 1 1.419 0.779 1.912 1.00 0.00 H HETATM 204 HC0 UNL 1 1.566 -1.587 0.942 1.00 0.00 H HETATM 205 HC1 UNL 1 2.898 -1.434 -1.153 1.00 0.00 H HETATM 206 HC2 UNL 1 1.097 0.251 -1.502 1.00 0.00 H HETATM 207 HC3 UNL 1 0.740 -2.444 -0.818 1.00 0.00 H HETATM 208 HC4 UNL 1 -0.898 -1.477 0.115 1.00 0.00 H HETATM 209 HC5 UNL 1 -1.018 0.122 -2.227 1.00 0.00 H HETATM 210 HC6 UNL 1 -1.110 1.532 -0.700 1.00 0.00 H HETATM 211 HC7 UNL 1 -1.386 0.360 1.892 1.00 0.00 H HETATM 212 HC8 UNL 1 -3.124 -0.326 0.703 1.00 0.00 H HETATM 213 HC9 UNL 1 -3.186 0.105 -1.023 1.00 0.00 H HETATM 214 HD0 UNL 1 -4.091 1.920 -0.398 1.00 0.00 H CONECT 1 2 85 86 87 CONECT 2 3 88 89 CONECT 3 4 90 91 CONECT 4 5 92 93 CONECT 5 6 94 95 CONECT 6 7 96 97 CONECT 7 8 98 99 CONECT 8 9 100 101 CONECT 9 10 10 102 CONECT 10 11 103 CONECT 11 12 104 105 CONECT 12 13 106 107 CONECT 13 14 108 109 CONECT 14 15 110 111 CONECT 15 16 112 113 CONECT 16 17 114 115 CONECT 17 18 116 117 CONECT 18 19 19 20 CONECT 20 118 CONECT 21 22 119 120 121 CONECT 22 23 122 123 CONECT 23 24 124 125 CONECT 24 25 126 127 CONECT 25 26 128 129 CONECT 26 27 130 131 CONECT 27 28 132 133 CONECT 28 29 134 135 CONECT 29 30 30 136 CONECT 30 31 137 CONECT 31 32 138 139 CONECT 32 33 140 141 CONECT 33 34 142 143 CONECT 34 35 144 145 CONECT 35 36 146 147 CONECT 36 37 148 149 CONECT 37 38 150 151 CONECT 38 39 39 40 CONECT 40 152 CONECT 41 42 153 154 155 CONECT 42 43 156 157 CONECT 43 44 158 159 CONECT 44 45 160 161 CONECT 45 46 162 163 CONECT 46 47 164 165 CONECT 47 48 166 167 CONECT 48 49 168 169 CONECT 49 50 50 170 CONECT 50 51 171 CONECT 51 52 172 173 CONECT 52 53 174 175 CONECT 53 54 176 177 CONECT 54 55 178 179 CONECT 55 56 180 181 CONECT 56 57 182 183 CONECT 57 58 184 185 CONECT 58 59 59 60 CONECT 60 186 CONECT 61 62 187 CONECT 62 63 188 189 CONECT 63 64 65 190 CONECT 64 191 CONECT 65 66 67 192 CONECT 66 193 CONECT 67 68 69 194 CONECT 68 195 CONECT 69 70 71 196 CONECT 70 197 CONECT 71 72 198 199 CONECT 72 200 CONECT 73 74 201 CONECT 74 75 202 203 CONECT 75 76 77 204 CONECT 76 205 CONECT 77 78 79 206 CONECT 78 207 CONECT 79 80 81 208 CONECT 80 209 CONECT 81 82 83 210 CONECT 82 211 CONECT 83 84 212 213 CONECT 84 214 END SMILES for HMDB0303628 (Sorgen 30)[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O INCHI for HMDB0303628 (Sorgen 30)InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1 3D Structure for HMDB0303628 (Sorgen 30) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C66H130O18 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1211.748 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1210.925717346 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | bis((2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol); tris((9Z)-octadec-9-enoic acid) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | bis(D-sorbitol); tris(oleic acid) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O.[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CUNWUEBNSZSNRX-RKGWDQTMSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Fatty Acyls | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Fatty acids and conjugates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Long-chain fatty acids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | FDB016911 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 4938660 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | rw1284221 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
