Showing metabocard for Cyclolinopeptide G (HMDB0036551)
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Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2012-09-11 21:42:18 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2022-03-07 02:54:57 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0036551 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers |
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Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Cyclolinopeptide G | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Cyclolinopeptide G belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Cyclolinopeptide G has been detected, but not quantified in, several different foods, such as fats and oils, teas (Camellia sinensis), black tea, flaxseeds (Linum usitatissimum), and red tea. This could make cyclolinopeptide g a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Cyclolinopeptide G. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for HMDB0036551 (Cyclolinopeptide G)Mrv0541 01081310062D 77 82 0 0 0 0 999 V2000 5.0273 10.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 10.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 9.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3128 8.8717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 8.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 7.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 10.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 11.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 12.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 12.2038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 11.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 11.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6248 11.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 12.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 12.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 7.2239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2119 6.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 5.9864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 5.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7829 4.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 5.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 4.7489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6395 5.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 2.6864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 2.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 5.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 3.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 4.7489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 5.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5920 4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 6.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9263 5.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9264 7.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 7.6364 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 8.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 7.6364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 6.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 6.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 8.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 8.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2119 8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 9.6967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 10.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 8.8716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1694 8.4591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 7.2216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8839 7.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 7.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 6.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6885 7.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 7.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 6.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 9.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 10.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 11.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 10.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 10.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 9.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 10.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 4.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9264 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 8.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 8.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 7.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 49 1 0 0 0 0 3 50 1 1 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 2 0 0 0 0 12 8 2 0 0 0 0 9 8 1 0 0 0 0 15 9 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 33 1 0 0 0 0 20 24 2 0 0 0 0 22 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 23 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 31 35 1 0 0 0 0 34 36 1 0 0 0 0 17 37 2 0 0 0 0 16 38 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 16 43 1 0 0 0 0 36 44 1 0 0 0 0 36 45 2 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 47 49 1 0 0 0 0 7 50 1 0 0 0 0 5 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 54 56 1 1 0 0 0 56 57 1 0 0 0 0 58 57 2 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 58 62 1 0 0 0 0 51 63 1 1 0 0 0 54 44 1 0 0 0 0 63 64 1 0 0 0 0 68 64 2 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 65 69 2 0 0 0 0 19 70 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 47 74 1 6 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 M END 3D MOL for HMDB0036551 (Cyclolinopeptide G)HMDB0036551 RDKit 3D Cyclolinopeptide G 152157 0 0 0 0 0 0 0 0999 V2000 -3.9279 -6.9205 -1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -6.5569 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -5.1824 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -5.1445 -2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 -4.5035 0.2348 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1371 -3.1747 -0.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -2.0350 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -1.3695 -1.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 -1.4584 1.0592 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0085 -1.7770 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -1.2915 2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 -0.7468 3.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 -0.4364 4.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5593 -0.7614 3.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8772 -0.6444 3.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8311 -1.0857 2.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4653 -1.6157 1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -1.7288 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1856 -1.2917 2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -0.0976 1.1559 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 1.1423 1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 1.7624 2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 1.9467 0.3088 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7194 1.2310 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 2.1914 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 3.0796 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0768 3.9521 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 3.9771 -2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 3.1213 -3.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 2.2539 -2.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 2.6792 -0.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 3.0560 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 2.5898 -1.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 3.9345 0.2852 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4655 4.9775 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 5.9829 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 5.8374 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 6.7552 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 7.8880 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 8.0406 -1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 7.1382 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 4.6506 -0.4742 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 5.0067 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 6.2069 -0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 4.2122 0.6480 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8814 4.9286 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 6.0987 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 5.6700 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 4.3029 0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 3.2451 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 3.5339 -1.6733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 1.8114 -0.2078 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9939 1.6561 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 2.5813 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 2.2871 2.4691 S 0 0 0 0 0 4 0 0 0 0 0 0 7.7908 0.5520 2.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 3.0855 3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 0.9708 -1.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -0.2481 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2137 -0.3876 -2.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 -1.4694 -0.7020 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9419 -2.4845 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -2.0643 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 -1.7208 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -3.2264 -2.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8996 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -2.9857 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -2.7286 1.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -4.4079 0.1798 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1095 -4.6873 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 -6.1582 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -7.2981 -0.8327 S 0 0 0 0 0 4 0 0 0 0 0 0 4.6106 -7.0629 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 -7.2955 0.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -4.9393 0.9448 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -5.2944 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -6.5355 0.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -7.1781 -2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 -7.7904 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 -6.0572 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -6.6046 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 -7.3551 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 -4.5785 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -4.9686 -2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -6.1753 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 -4.4534 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 -4.2624 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.0613 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1554 -2.0832 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 -2.9121 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 -1.6471 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -0.5764 3.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 -0.0081 5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2265 -0.2358 4.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8884 -1.0049 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1998 -1.9683 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8722 -2.1491 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -0.0931 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 2.7733 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3511 0.4394 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 0.8996 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 3.0861 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8135 4.6497 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 4.6462 -3.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 3.1161 -4.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 1.5755 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 2.9804 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 3.3178 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 5.5685 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2163 4.6138 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 4.9693 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 6.5903 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 8.6286 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 8.9631 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 7.2951 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 4.9108 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 3.1622 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 5.3090 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 4.2534 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 7.0498 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 6.2433 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 5.7461 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 6.3237 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 1.6469 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 1.9411 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 0.6420 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 3.6373 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 2.2079 2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 0.4171 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 0.3489 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 -0.1249 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1216 1.3955 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 -1.1066 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -2.7809 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 -3.4272 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -1.1681 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0236 -2.3864 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 -0.6519 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5799 -1.9901 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6349 -2.8489 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -3.7940 -3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4064 -3.8727 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -1.1425 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -4.9792 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 -4.6792 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 -3.9988 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -6.2416 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 -6.4286 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -6.1552 -1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -7.9866 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 -6.9372 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 -5.1047 1.9808 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 34 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 2 0 52 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 61 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 72 74 2 0 69 75 1 0 75 76 1 0 76 77 2 0 76 5 1 0 19 11 1 0 30 25 1 0 41 36 1 0 49 45 1 0 19 14 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 4 86 1 0 5 87 1 1 6 88 1 0 9 89 1 1 10 90 1 0 10 91 1 0 12 92 1 0 13 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 20 98 1 0 23 99 1 1 24100 1 0 24101 1 0 26102 1 0 27103 1 0 28104 1 0 29105 1 0 30106 1 0 31107 1 0 34108 1 1 35109 1 0 35110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 45117 1 1 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 1 53125 1 0 53126 1 0 54127 1 0 54128 1 0 56129 1 0 56130 1 0 56131 1 0 58132 1 0 61133 1 1 62134 1 0 62135 1 0 63136 1 0 64137 1 0 64138 1 0 64139 1 0 65140 1 0 65141 1 0 65142 1 0 66143 1 0 69144 1 1 70145 1 0 70146 1 0 71147 1 0 71148 1 0 73149 1 0 73150 1 0 73151 1 0 75152 1 0 M END 3D SDF for HMDB0036551 (Cyclolinopeptide G)Mrv0541 01081310062D 77 82 0 0 0 0 999 V2000 5.0273 10.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 10.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 9.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3128 8.8717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 8.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 7.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 10.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 11.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 12.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 12.2038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 11.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 11.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6248 11.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 12.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 12.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 7.2239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2119 6.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 5.9864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 5.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7829 4.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 5.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 4.7489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6395 5.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 2.6864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 2.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 5.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 3.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 4.7489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 5.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5920 4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 6.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9263 5.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9264 7.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 7.6364 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 7.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 8.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 7.6364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 6.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 6.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 8.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 8.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2119 8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 9.6967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 10.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 8.8716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1694 8.4591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 7.2216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8839 7.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 7.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 6.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6885 7.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 7.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 6.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 9.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 10.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 11.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 10.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 10.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 9.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 10.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 4.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9264 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 3.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 8.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 8.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 7.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 49 1 0 0 0 0 3 50 1 1 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 2 0 0 0 0 12 8 2 0 0 0 0 9 8 1 0 0 0 0 15 9 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 33 1 0 0 0 0 20 24 2 0 0 0 0 22 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 23 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 31 35 1 0 0 0 0 34 36 1 0 0 0 0 17 37 2 0 0 0 0 16 38 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 16 43 1 0 0 0 0 36 44 1 0 0 0 0 36 45 2 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 47 49 1 0 0 0 0 7 50 1 0 0 0 0 5 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 54 56 1 1 0 0 0 56 57 1 0 0 0 0 58 57 2 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 58 62 1 0 0 0 0 51 63 1 1 0 0 0 54 44 1 0 0 0 0 63 64 1 0 0 0 0 68 64 2 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 65 69 2 0 0 0 0 19 70 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 47 74 1 6 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 M END > <DATABASE_ID> HMDB0036551 > <DATABASE_NAME> hmdb > <SMILES> CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O > <INCHI_IDENTIFIER> InChI=1S/C56H75N9O10S2/c1-7-35(4)48-55(72)58-41(24-27-76(5)74)49(66)60-43(29-34(2)3)50(67)59-42(25-28-77(6)75)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?,77?/m0/s1 > <INCHI_KEY> MGTCVHJATWUGDT-VAFFMOIVSA-N > <FORMULA> C56H75N9O10S2 > <MOLECULAR_WEIGHT> 1098.379 > <EXACT_MASS> 1097.507831045 > <JCHEM_ACCEPTOR_COUNT> 10 > <JCHEM_AVERAGE_POLARIZABILITY> 116.38078498522619 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 8 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3S,6S,9S,12S,15S,18S,21S,26aS)-3,6-dibenzyl-12-(butan-2-yl)-9-(1H-indol-3-ylmethyl)-15,21-bis(2-methanesulfinylethyl)-18-(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone > <ALOGPS_LOGP> 2.56 > <JCHEM_LOGP> 0.18632956033333237 > <ALOGPS_LOGS> -4.27 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.815684155752121 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.395594794325683 > <JCHEM_POLAR_SURFACE_AREA> 273.93999999999994 > <JCHEM_REFRACTIVITY> 295.9727999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 16 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.96e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (3S,6S,9S,12S,15S,18S,21S,26aS)-3,6-dibenzyl-9-(1H-indol-3-ylmethyl)-15,21-bis(2-methanesulfinylethyl)-18-(2-methylpropyl)-12-(sec-butyl)-octadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for HMDB0036551 (Cyclolinopeptide G)HMDB0036551 RDKit 3D Cyclolinopeptide G 152157 0 0 0 0 0 0 0 0999 V2000 -3.9279 -6.9205 -1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -6.5569 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -5.1824 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -5.1445 -2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 -4.5035 0.2348 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1371 -3.1747 -0.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -2.0350 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -1.3695 -1.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 -1.4584 1.0592 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0085 -1.7770 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -1.2915 2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 -0.7468 3.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 -0.4364 4.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5593 -0.7614 3.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8772 -0.6444 3.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8311 -1.0857 2.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4653 -1.6157 1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -1.7288 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1856 -1.2917 2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -0.0976 1.1559 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 1.1423 1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 1.7624 2.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 1.9467 0.3088 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7194 1.2310 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 2.1914 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 3.0796 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0768 3.9521 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 3.9771 -2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 3.1213 -3.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 2.2539 -2.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 2.6792 -0.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 3.0560 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 2.5898 -1.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 3.9345 0.2852 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4655 4.9775 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 5.9829 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 5.8374 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 6.7552 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 7.8880 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 8.0406 -1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 7.1382 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 4.6506 -0.4742 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 5.0067 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 6.2069 -0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 4.2122 0.6480 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8814 4.9286 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 6.0987 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 5.6700 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 4.3029 0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 3.2451 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 3.5339 -1.6733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 1.8114 -0.2078 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9939 1.6561 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 2.5813 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 2.2871 2.4691 S 0 0 0 0 0 4 0 0 0 0 0 0 7.7908 0.5520 2.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 3.0855 3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 0.9708 -1.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -0.2481 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2137 -0.3876 -2.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 -1.4694 -0.7020 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9419 -2.4845 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -2.0643 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 -1.7208 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -3.2264 -2.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8996 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -2.9857 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -2.7286 1.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -4.4079 0.1798 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1095 -4.6873 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 -6.1582 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -7.2981 -0.8327 S 0 0 0 0 0 4 0 0 0 0 0 0 4.6106 -7.0629 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 -7.2955 0.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -4.9393 0.9448 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -5.2944 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -6.5355 0.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -7.1781 -2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 -7.7904 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 -6.0572 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -6.6046 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 -7.3551 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 -4.5785 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -4.9686 -2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -6.1753 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 -4.4534 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 -4.2624 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.0613 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1554 -2.0832 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 -2.9121 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 -1.6471 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -0.5764 3.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 -0.0081 5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2265 -0.2358 4.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8884 -1.0049 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1998 -1.9683 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8722 -2.1491 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -0.0931 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 2.7733 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3511 0.4394 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 0.8996 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 3.0861 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8135 4.6497 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 4.6462 -3.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 3.1161 -4.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 1.5755 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 2.9804 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 3.3178 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 5.5685 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2163 4.6138 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 4.9693 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 6.5903 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 8.6286 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 8.9631 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 7.2951 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 4.9108 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 3.1622 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 5.3090 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 4.2534 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 7.0498 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 6.2433 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 5.7461 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 6.3237 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 1.6469 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 1.9411 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 0.6420 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 3.6373 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 2.2079 2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 0.4171 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 0.3489 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 -0.1249 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1216 1.3955 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 -1.1066 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -2.7809 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 -3.4272 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -1.1681 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0236 -2.3864 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 -0.6519 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5799 -1.9901 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6349 -2.8489 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -3.7940 -3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4064 -3.8727 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -1.1425 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -4.9792 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 -4.6792 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 -3.9988 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -6.2416 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 -6.4286 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -6.1552 -1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -7.9866 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 -6.9372 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 -5.1047 1.9808 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 34 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 2 0 52 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 61 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 72 74 2 0 69 75 1 0 75 76 1 0 76 77 2 0 76 5 1 0 19 11 1 0 30 25 1 0 41 36 1 0 49 45 1 0 19 14 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 4 86 1 0 5 87 1 1 6 88 1 0 9 89 1 1 10 90 1 0 10 91 1 0 12 92 1 0 13 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 20 98 1 0 23 99 1 1 24100 1 0 24101 1 0 26102 1 0 27103 1 0 28104 1 0 29105 1 0 30106 1 0 31107 1 0 34108 1 1 35109 1 0 35110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 45117 1 1 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 1 53125 1 0 53126 1 0 54127 1 0 54128 1 0 56129 1 0 56130 1 0 56131 1 0 58132 1 0 61133 1 1 62134 1 0 62135 1 0 63136 1 0 64137 1 0 64138 1 0 64139 1 0 65140 1 0 65141 1 0 65142 1 0 66143 1 0 69144 1 1 70145 1 0 70146 1 0 71147 1 0 71148 1 0 73149 1 0 73150 1 0 73151 1 0 75152 1 0 M END PDB for HMDB0036551 (Cyclolinopeptide G)HEADER PROTEIN 08-JAN-13 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 08-JAN-13 0 HETATM 1 O UNK 0 9.384 20.410 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 9.384 18.871 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.051 18.101 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 8.051 16.561 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 6.717 15.790 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 6.717 14.251 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 6.717 20.411 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 7.963 21.316 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 7.487 22.780 0.000 0.00 0.00 C+0 HETATM 10 N UNK 0 5.947 22.780 0.000 0.00 0.00 N+0 HETATM 11 C UNK 0 5.471 21.316 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 9.469 20.996 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 10.500 22.140 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 10.024 23.605 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 8.517 23.925 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 13.462 13.485 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.462 11.945 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 12.128 11.175 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 12.128 9.635 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 10.795 8.865 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 9.461 9.635 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 8.127 8.865 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 6.794 9.635 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 10.795 7.325 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 8.127 7.325 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.794 6.555 0.000 0.00 0.00 C+0 HETATM 27 S UNK 0 6.794 5.015 0.000 0.00 0.00 S+0 HETATM 28 O UNK 0 5.460 4.245 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 8.127 4.245 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 6.794 11.175 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 3.524 7.297 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 5.062 7.377 0.000 0.00 0.00 C+0 HETATM 33 N UNK 0 5.460 8.865 0.000 0.00 0.00 N+0 HETATM 34 C UNK 0 4.169 9.703 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 2.972 8.734 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.088 11.241 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 14.796 11.175 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 14.796 14.255 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 16.129 13.485 0.000 0.00 0.00 C+0 HETATM 40 S UNK 0 17.463 14.255 0.000 0.00 0.00 S+0 HETATM 41 C UNK 0 18.797 13.485 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 17.463 15.795 0.000 0.00 0.00 O+0 HETATM 43 N UNK 0 12.128 14.255 0.000 0.00 0.00 N+0 HETATM 44 N UNK 0 2.716 11.940 0.000 0.00 0.00 N+0 HETATM 45 O UNK 0 5.380 12.080 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 12.128 15.795 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 10.795 16.565 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 13.462 16.565 0.000 0.00 0.00 O+0 HETATM 49 N UNK 0 10.718 18.101 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 6.717 18.871 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 5.383 16.560 0.000 0.00 0.00 C+0 HETATM 52 N UNK 0 4.050 15.790 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 4.050 14.250 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 2.716 13.480 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 5.383 13.480 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 1.382 14.250 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 0.049 13.480 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 0.049 11.940 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -1.285 14.251 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -2.619 13.480 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -2.619 11.941 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -1.285 11.170 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 5.383 18.100 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 4.050 18.870 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 2.716 21.180 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 1.382 20.410 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 1.382 18.870 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 2.716 18.100 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 4.050 20.410 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 13.462 8.865 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 13.462 7.325 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 14.796 6.555 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 12.128 6.555 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 9.481 15.762 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 8.161 15.395 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 9.898 14.279 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 8.823 13.177 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 49 CONECT 3 2 4 50 CONECT 4 3 5 CONECT 5 4 6 51 CONECT 6 5 CONECT 7 8 11 50 CONECT 8 7 12 9 CONECT 9 10 8 15 CONECT 10 9 11 CONECT 11 10 7 CONECT 12 8 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 9 14 CONECT 16 17 38 43 CONECT 17 16 18 37 CONECT 18 17 19 CONECT 19 18 20 70 CONECT 20 19 21 24 CONECT 21 20 22 CONECT 22 21 23 25 CONECT 23 22 33 30 CONECT 24 20 CONECT 25 22 26 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 23 CONECT 31 32 35 CONECT 32 31 33 CONECT 33 23 32 34 CONECT 34 33 35 36 CONECT 35 34 31 CONECT 36 34 44 45 CONECT 37 17 CONECT 38 16 39 CONECT 39 38 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 CONECT 43 16 46 CONECT 44 36 54 CONECT 45 36 CONECT 46 43 47 48 CONECT 47 46 49 74 CONECT 48 46 CONECT 49 2 47 CONECT 50 3 7 CONECT 51 5 52 63 CONECT 52 51 53 CONECT 53 52 54 55 CONECT 54 53 56 44 CONECT 55 53 CONECT 56 54 57 CONECT 57 56 58 59 CONECT 58 57 62 CONECT 59 57 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 58 CONECT 63 51 64 CONECT 64 63 68 69 CONECT 65 66 69 CONECT 66 65 67 CONECT 67 66 68 CONECT 68 64 67 CONECT 69 64 65 CONECT 70 19 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 47 75 76 CONECT 75 74 CONECT 76 74 77 CONECT 77 76 MASTER 0 0 0 0 0 0 0 0 77 0 164 0 END 3D PDB for HMDB0036551 (Cyclolinopeptide G)COMPND HMDB0036551 HETATM 1 C1 UNL 1 -3.928 -6.921 -1.439 1.00 0.00 C HETATM 2 C2 UNL 1 -2.829 -6.557 -0.408 1.00 0.00 C HETATM 3 C3 UNL 1 -2.375 -5.182 -0.748 1.00 0.00 C HETATM 4 C4 UNL 1 -1.786 -5.144 -2.149 1.00 0.00 C HETATM 5 C5 UNL 1 -1.464 -4.503 0.235 1.00 0.00 C HETATM 6 N1 UNL 1 -1.137 -3.175 -0.251 1.00 0.00 N HETATM 7 C6 UNL 1 -1.939 -2.035 -0.164 1.00 0.00 C HETATM 8 O1 UNL 1 -2.183 -1.370 -1.234 1.00 0.00 O HETATM 9 C7 UNL 1 -2.578 -1.458 1.059 1.00 0.00 C HETATM 10 C8 UNL 1 -4.008 -1.777 1.008 1.00 0.00 C HETATM 11 C9 UNL 1 -4.808 -1.291 2.149 1.00 0.00 C HETATM 12 C10 UNL 1 -4.359 -0.747 3.323 1.00 0.00 C HETATM 13 N2 UNL 1 -5.421 -0.436 4.099 1.00 0.00 N HETATM 14 C11 UNL 1 -6.559 -0.761 3.468 1.00 0.00 C HETATM 15 C12 UNL 1 -7.877 -0.644 3.832 1.00 0.00 C HETATM 16 C13 UNL 1 -8.831 -1.086 2.926 1.00 0.00 C HETATM 17 C14 UNL 1 -8.465 -1.616 1.719 1.00 0.00 C HETATM 18 C15 UNL 1 -7.136 -1.729 1.363 1.00 0.00 C HETATM 19 C16 UNL 1 -6.186 -1.292 2.259 1.00 0.00 C HETATM 20 N3 UNL 1 -2.153 -0.098 1.156 1.00 0.00 N HETATM 21 C17 UNL 1 -2.732 1.142 1.248 1.00 0.00 C HETATM 22 O2 UNL 1 -2.544 1.762 2.382 1.00 0.00 O HETATM 23 C18 UNL 1 -3.545 1.947 0.309 1.00 0.00 C HETATM 24 C19 UNL 1 -4.719 1.231 -0.302 1.00 0.00 C HETATM 25 C20 UNL 1 -5.436 2.191 -1.195 1.00 0.00 C HETATM 26 C21 UNL 1 -6.374 3.080 -0.672 1.00 0.00 C HETATM 27 C22 UNL 1 -7.077 3.952 -1.468 1.00 0.00 C HETATM 28 C23 UNL 1 -6.872 3.977 -2.835 1.00 0.00 C HETATM 29 C24 UNL 1 -5.962 3.121 -3.381 1.00 0.00 C HETATM 30 C25 UNL 1 -5.268 2.254 -2.561 1.00 0.00 C HETATM 31 N4 UNL 1 -2.755 2.679 -0.658 1.00 0.00 N HETATM 32 C26 UNL 1 -1.426 3.056 -0.652 1.00 0.00 C HETATM 33 O3 UNL 1 -0.682 2.590 -1.600 1.00 0.00 O HETATM 34 C27 UNL 1 -0.681 3.934 0.285 1.00 0.00 C HETATM 35 C28 UNL 1 -1.465 4.977 0.980 1.00 0.00 C HETATM 36 C29 UNL 1 -2.134 5.983 0.130 1.00 0.00 C HETATM 37 C30 UNL 1 -3.424 5.837 -0.300 1.00 0.00 C HETATM 38 C31 UNL 1 -4.094 6.755 -1.111 1.00 0.00 C HETATM 39 C32 UNL 1 -3.401 7.888 -1.504 1.00 0.00 C HETATM 40 C33 UNL 1 -2.089 8.041 -1.068 1.00 0.00 C HETATM 41 C34 UNL 1 -1.440 7.138 -0.275 1.00 0.00 C HETATM 42 N5 UNL 1 0.362 4.651 -0.474 1.00 0.00 N HETATM 43 C35 UNL 1 1.626 5.007 -0.072 1.00 0.00 C HETATM 44 O4 UNL 1 2.005 6.207 -0.350 1.00 0.00 O HETATM 45 C36 UNL 1 2.644 4.212 0.648 1.00 0.00 C HETATM 46 C37 UNL 1 2.881 4.929 1.962 1.00 0.00 C HETATM 47 C38 UNL 1 3.748 6.099 1.500 1.00 0.00 C HETATM 48 C39 UNL 1 4.411 5.670 0.245 1.00 0.00 C HETATM 49 N6 UNL 1 3.972 4.303 0.036 1.00 0.00 N HETATM 50 C40 UNL 1 4.618 3.245 -0.608 1.00 0.00 C HETATM 51 O5 UNL 1 5.264 3.534 -1.673 1.00 0.00 O HETATM 52 C41 UNL 1 4.647 1.811 -0.208 1.00 0.00 C HETATM 53 C42 UNL 1 5.994 1.656 0.512 1.00 0.00 C HETATM 54 C43 UNL 1 6.077 2.581 1.720 1.00 0.00 C HETATM 55 S1 UNL 1 7.712 2.287 2.469 1.00 0.00 S HETATM 56 C44 UNL 1 7.791 0.552 2.942 1.00 0.00 C HETATM 57 O6 UNL 1 7.742 3.086 3.770 1.00 0.00 O HETATM 58 N7 UNL 1 4.598 0.971 -1.389 1.00 0.00 N HETATM 59 C45 UNL 1 3.982 -0.248 -1.583 1.00 0.00 C HETATM 60 O7 UNL 1 3.214 -0.388 -2.599 1.00 0.00 O HETATM 61 C46 UNL 1 4.120 -1.469 -0.702 1.00 0.00 C HETATM 62 C47 UNL 1 4.942 -2.485 -1.429 1.00 0.00 C HETATM 63 C48 UNL 1 6.316 -2.064 -1.810 1.00 0.00 C HETATM 64 C49 UNL 1 7.113 -1.721 -0.585 1.00 0.00 C HETATM 65 C50 UNL 1 6.943 -3.226 -2.583 1.00 0.00 C HETATM 66 N8 UNL 1 2.854 -1.900 -0.199 1.00 0.00 N HETATM 67 C51 UNL 1 2.368 -2.986 0.498 1.00 0.00 C HETATM 68 O8 UNL 1 2.058 -2.729 1.767 1.00 0.00 O HETATM 69 C52 UNL 1 2.091 -4.408 0.180 1.00 0.00 C HETATM 70 C53 UNL 1 2.109 -4.687 -1.287 1.00 0.00 C HETATM 71 C54 UNL 1 1.775 -6.158 -1.619 1.00 0.00 C HETATM 72 S2 UNL 1 2.904 -7.298 -0.833 1.00 0.00 S HETATM 73 C55 UNL 1 4.611 -7.063 -1.304 1.00 0.00 C HETATM 74 O9 UNL 1 2.781 -7.295 0.681 1.00 0.00 O HETATM 75 N9 UNL 1 1.005 -4.939 0.945 1.00 0.00 N HETATM 76 C56 UNL 1 -0.318 -5.294 0.711 1.00 0.00 C HETATM 77 O10 UNL 1 -0.634 -6.535 0.949 1.00 0.00 O HETATM 78 H1 UNL 1 -3.429 -7.178 -2.372 1.00 0.00 H HETATM 79 H2 UNL 1 -4.516 -7.790 -1.099 1.00 0.00 H HETATM 80 H3 UNL 1 -4.623 -6.057 -1.514 1.00 0.00 H HETATM 81 H4 UNL 1 -3.317 -6.605 0.578 1.00 0.00 H HETATM 82 H5 UNL 1 -2.059 -7.355 -0.502 1.00 0.00 H HETATM 83 H6 UNL 1 -3.336 -4.579 -0.857 1.00 0.00 H HETATM 84 H7 UNL 1 -2.572 -4.969 -2.900 1.00 0.00 H HETATM 85 H8 UNL 1 -1.397 -6.175 -2.386 1.00 0.00 H HETATM 86 H9 UNL 1 -0.926 -4.453 -2.229 1.00 0.00 H HETATM 87 H10 UNL 1 -2.166 -4.262 1.112 1.00 0.00 H HETATM 88 H11 UNL 1 -0.203 -3.061 -0.729 1.00 0.00 H HETATM 89 H12 UNL 1 -2.155 -2.083 1.916 1.00 0.00 H HETATM 90 H13 UNL 1 -4.072 -2.912 1.119 1.00 0.00 H HETATM 91 H14 UNL 1 -4.505 -1.647 0.022 1.00 0.00 H HETATM 92 H15 UNL 1 -3.334 -0.576 3.619 1.00 0.00 H HETATM 93 H16 UNL 1 -5.338 -0.008 5.044 1.00 0.00 H HETATM 94 H17 UNL 1 -8.227 -0.236 4.765 1.00 0.00 H HETATM 95 H18 UNL 1 -9.888 -1.005 3.189 1.00 0.00 H HETATM 96 H19 UNL 1 -9.200 -1.968 1.001 1.00 0.00 H HETATM 97 H20 UNL 1 -6.872 -2.149 0.407 1.00 0.00 H HETATM 98 H21 UNL 1 -1.062 -0.093 1.165 1.00 0.00 H HETATM 99 H22 UNL 1 -4.084 2.773 0.883 1.00 0.00 H HETATM 100 H23 UNL 1 -4.351 0.439 -0.997 1.00 0.00 H HETATM 101 H24 UNL 1 -5.405 0.900 0.472 1.00 0.00 H HETATM 102 H25 UNL 1 -6.555 3.086 0.386 1.00 0.00 H HETATM 103 H26 UNL 1 -7.814 4.650 -1.065 1.00 0.00 H HETATM 104 H27 UNL 1 -7.400 4.646 -3.499 1.00 0.00 H HETATM 105 H28 UNL 1 -5.778 3.116 -4.458 1.00 0.00 H HETATM 106 H29 UNL 1 -4.546 1.576 -3.009 1.00 0.00 H HETATM 107 H30 UNL 1 -3.307 2.980 -1.527 1.00 0.00 H HETATM 108 H31 UNL 1 -0.105 3.318 1.018 1.00 0.00 H HETATM 109 H32 UNL 1 -0.728 5.568 1.603 1.00 0.00 H HETATM 110 H33 UNL 1 -2.216 4.614 1.703 1.00 0.00 H HETATM 111 H34 UNL 1 -4.041 4.969 -0.013 1.00 0.00 H HETATM 112 H35 UNL 1 -5.125 6.590 -1.428 1.00 0.00 H HETATM 113 H36 UNL 1 -3.888 8.629 -2.140 1.00 0.00 H HETATM 114 H37 UNL 1 -1.616 8.963 -1.424 1.00 0.00 H HETATM 115 H38 UNL 1 -0.440 7.295 0.043 1.00 0.00 H HETATM 116 H39 UNL 1 0.063 4.911 -1.465 1.00 0.00 H HETATM 117 H40 UNL 1 2.342 3.162 0.807 1.00 0.00 H HETATM 118 H41 UNL 1 1.928 5.309 2.395 1.00 0.00 H HETATM 119 H42 UNL 1 3.428 4.253 2.625 1.00 0.00 H HETATM 120 H43 UNL 1 3.202 7.050 1.448 1.00 0.00 H HETATM 121 H44 UNL 1 4.482 6.243 2.352 1.00 0.00 H HETATM 122 H45 UNL 1 5.526 5.746 0.437 1.00 0.00 H HETATM 123 H46 UNL 1 4.270 6.324 -0.638 1.00 0.00 H HETATM 124 H47 UNL 1 3.863 1.647 0.520 1.00 0.00 H HETATM 125 H48 UNL 1 6.827 1.941 -0.158 1.00 0.00 H HETATM 126 H49 UNL 1 6.102 0.642 0.946 1.00 0.00 H HETATM 127 H50 UNL 1 5.989 3.637 1.480 1.00 0.00 H HETATM 128 H51 UNL 1 5.340 2.208 2.453 1.00 0.00 H HETATM 129 H52 UNL 1 7.064 0.417 3.779 1.00 0.00 H HETATM 130 H53 UNL 1 8.788 0.349 3.401 1.00 0.00 H HETATM 131 H54 UNL 1 7.581 -0.125 2.098 1.00 0.00 H HETATM 132 H55 UNL 1 5.122 1.395 -2.229 1.00 0.00 H HETATM 133 H56 UNL 1 4.809 -1.107 0.116 1.00 0.00 H HETATM 134 H57 UNL 1 4.409 -2.781 -2.356 1.00 0.00 H HETATM 135 H58 UNL 1 5.010 -3.427 -0.803 1.00 0.00 H HETATM 136 H59 UNL 1 6.233 -1.168 -2.503 1.00 0.00 H HETATM 137 H60 UNL 1 8.024 -2.386 -0.607 1.00 0.00 H HETATM 138 H61 UNL 1 7.409 -0.652 -0.556 1.00 0.00 H HETATM 139 H62 UNL 1 6.580 -1.990 0.340 1.00 0.00 H HETATM 140 H63 UNL 1 7.635 -2.849 -3.368 1.00 0.00 H HETATM 141 H64 UNL 1 6.146 -3.794 -3.100 1.00 0.00 H HETATM 142 H65 UNL 1 7.406 -3.873 -1.838 1.00 0.00 H HETATM 143 H66 UNL 1 2.081 -1.143 -0.418 1.00 0.00 H HETATM 144 H67 UNL 1 3.067 -4.979 0.510 1.00 0.00 H HETATM 145 H68 UNL 1 3.202 -4.679 -1.611 1.00 0.00 H HETATM 146 H69 UNL 1 1.541 -3.999 -1.923 1.00 0.00 H HETATM 147 H70 UNL 1 1.971 -6.242 -2.719 1.00 0.00 H HETATM 148 H71 UNL 1 0.759 -6.429 -1.357 1.00 0.00 H HETATM 149 H72 UNL 1 4.697 -6.155 -1.928 1.00 0.00 H HETATM 150 H73 UNL 1 4.960 -7.987 -1.801 1.00 0.00 H HETATM 151 H74 UNL 1 5.255 -6.937 -0.389 1.00 0.00 H HETATM 152 H75 UNL 1 1.310 -5.105 1.981 1.00 0.00 H CONECT 1 2 78 79 80 CONECT 2 3 81 82 CONECT 3 4 5 83 CONECT 4 84 85 86 CONECT 5 6 76 87 CONECT 6 7 88 CONECT 7 8 8 9 CONECT 9 10 20 89 CONECT 10 11 90 91 CONECT 11 12 12 19 CONECT 12 13 92 CONECT 13 14 93 CONECT 14 15 15 19 CONECT 15 16 94 CONECT 16 17 17 95 CONECT 17 18 96 CONECT 18 19 19 97 CONECT 20 21 98 CONECT 21 22 22 23 CONECT 23 24 31 99 CONECT 24 25 100 101 CONECT 25 26 26 30 CONECT 26 27 102 CONECT 27 28 28 103 CONECT 28 29 104 CONECT 29 30 30 105 CONECT 30 106 CONECT 31 32 107 CONECT 32 33 33 34 CONECT 34 35 42 108 CONECT 35 36 109 110 CONECT 36 37 37 41 CONECT 37 38 111 CONECT 38 39 39 112 CONECT 39 40 113 CONECT 40 41 41 114 CONECT 41 115 CONECT 42 43 116 CONECT 43 44 44 45 CONECT 45 46 49 117 CONECT 46 47 118 119 CONECT 47 48 120 121 CONECT 48 49 122 123 CONECT 49 50 CONECT 50 51 51 52 CONECT 52 53 58 124 CONECT 53 54 125 126 CONECT 54 55 127 128 CONECT 55 56 57 57 CONECT 56 129 130 131 CONECT 58 59 132 CONECT 59 60 60 61 CONECT 61 62 66 133 CONECT 62 63 134 135 CONECT 63 64 65 136 CONECT 64 137 138 139 CONECT 65 140 141 142 CONECT 66 67 143 CONECT 67 68 68 69 CONECT 69 70 75 144 CONECT 70 71 145 146 CONECT 71 72 147 148 CONECT 72 73 74 74 CONECT 73 149 150 151 CONECT 75 76 152 CONECT 76 77 77 END SMILES for HMDB0036551 (Cyclolinopeptide G)CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O INCHI for HMDB0036551 (Cyclolinopeptide G)InChI=1S/C56H75N9O10S2/c1-7-35(4)48-55(72)58-41(24-27-76(5)74)49(66)60-43(29-34(2)3)50(67)59-42(25-28-77(6)75)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?,77?/m0/s1 3D Structure for HMDB0036551 (Cyclolinopeptide G) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C56H75N9O10S2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Molecular Weight | 1098.379 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Molecular Weight | 1097.507831045 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3S,6S,9S,12S,15S,18S,21S,26aS)-3,6-dibenzyl-12-(butan-2-yl)-9-(1H-indol-3-ylmethyl)-15,21-bis(2-methanesulfinylethyl)-18-(2-methylpropyl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3S,6S,9S,12S,15S,18S,21S,26aS)-3,6-dibenzyl-9-(1H-indol-3-ylmethyl)-15,21-bis(2-methanesulfinylethyl)-18-(2-methylpropyl)-12-(sec-butyl)-octadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C56H75N9O10S2/c1-7-35(4)48-55(72)58-41(24-27-76(5)74)49(66)60-43(29-34(2)3)50(67)59-42(25-28-77(6)75)56(73)65-26-16-23-47(65)54(71)63-45(31-37-19-12-9-13-20-37)52(69)61-44(30-36-17-10-8-11-18-36)51(68)62-46(53(70)64-48)32-38-33-57-40-22-15-14-21-39(38)40/h8-15,17-22,33-35,41-48,57H,7,16,23-32H2,1-6H3,(H,58,72)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,71)(H,64,70)/t35?,41-,42-,43-,44-,45-,46-,47-,48-,76?,77?/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | MGTCVHJATWUGDT-VAFFMOIVSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Organic acids and derivatives | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Carboxylic acids and derivatives | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Amino acids, peptides, and analogues | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Oligopeptides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents |
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Substituents |
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Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physiological effect | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Disposition | Biological location
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Process | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Role | Biological role
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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 |
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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 | FDB015454 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | C00027044 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 4911169 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 6398539 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VMH ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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