Showing metabocard for alpha-D-Mannosyl-(1->3)-N-acetyl-alpha-D-galctosaminyl-1-diphospho-di-trans,octa-cis-undecaprenol (MMDBc0057107)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Detected and Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2022-10-17 17:52:43 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2022-10-17 17:52:43 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite ID | MMDBc0057107 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | alpha-D-Mannosyl-(1->3)-N-acetyl-alpha-D-galctosaminyl-1-diphospho-di-trans,octa-cis-undecaprenol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on CHEBI:167140. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for #<Metabolite:0x00007fdb717a2520>Mrv1652310172219522D 89 90 0 0 1 0 999 V2000 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0164 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1105 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 1 0 0 0 12 13 1 0 0 0 0 9 14 1 1 0 0 0 8 15 1 1 0 0 0 16 15 1 6 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 16 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 19 24 1 6 0 0 0 18 25 1 1 0 0 0 17 26 1 1 0 0 0 7 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 2 0 0 0 0 2 33 1 0 0 0 0 2 34 2 0 0 0 0 1 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 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 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 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 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 75 82 1 0 0 0 0 71 83 1 0 0 0 0 67 84 1 0 0 0 0 63 85 1 0 0 0 0 59 86 1 0 0 0 0 55 87 1 0 0 0 0 51 88 1 0 0 0 0 47 89 1 0 0 0 0 M CHG 2 31 -1 33 -1 M END 3D SDF for #<Metabolite:0x00007fdb717a2520>Mrv1652310172219522D 89 90 0 0 1 0 999 V2000 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0164 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1105 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 1 0 0 0 12 13 1 0 0 0 0 9 14 1 1 0 0 0 8 15 1 1 0 0 0 16 15 1 6 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 16 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 19 24 1 6 0 0 0 18 25 1 1 0 0 0 17 26 1 1 0 0 0 7 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 2 0 0 0 0 2 33 1 0 0 0 0 2 34 2 0 0 0 0 1 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 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 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 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 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 75 82 1 0 0 0 0 71 83 1 0 0 0 0 67 84 1 0 0 0 0 63 85 1 0 0 0 0 59 86 1 0 0 0 0 55 87 1 0 0 0 0 51 88 1 0 0 0 0 47 89 1 0 0 0 0 M CHG 2 31 -1 33 -1 M END > <DATABASE_ID> MMDBc0057107 > <DATABASE_NAME> MIME > <SMILES> CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1NC(C)=O > <INCHI_IDENTIFIER> InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64+,65+,66+,67-,68-,69-/m1/s1 > <INCHI_KEY> WZXSCLOEBAZOTJ-AIXVZFPVSA-L > <FORMULA> C69H113NO17P2 > <MOLECULAR_WEIGHT> 1290.602 > <EXACT_MASS> 1289.749472338 > <JCHEM_ACCEPTOR_COUNT> 14 > <JCHEM_ATOM_COUNT> 202 > <JCHEM_AVERAGE_POLARIZABILITY> 145.11965181951516 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> -2 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl {[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl phosphono]oxy}phosphonate > <ALOGPS_LOGP> 7.25 > <JCHEM_LOGP> 12.799574994666667 > <ALOGPS_LOGS> -6.20 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 3.1720344130426694 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.7328514888818596 > <JCHEM_PKA_STRONGEST_BASIC> -2.981083560709542 > <JCHEM_POLAR_SURFACE_AREA> 286.11999999999995 > <JCHEM_REFRACTIVITY> 360.5668999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 42 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 8.39e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl [(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl phosphono]oxyphosphonate > <JCHEM_VEBER_RULE> 0 $$$$ PDB for #<Metabolite:0x00007fdb717a2520>HEADER PROTEIN 17-OCT-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-OCT-22 0 HETATM 1 O UNK 0 1.334 3.850 0.000 0.00 0.00 O+0 HETATM 2 P UNK 0 1.334 2.310 0.000 0.00 0.00 P+0 HETATM 3 O UNK 0 1.334 0.770 0.000 0.00 0.00 O+0 HETATM 4 P UNK 0 2.667 0.000 0.000 0.00 0.00 P+0 HETATM 5 O UNK 0 4.001 -0.770 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 2.667 -3.080 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 0.000 -4.620 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 4.001 -6.930 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 6.668 -5.390 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.002 -7.700 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 8.002 -9.240 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 6.668 -10.010 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 5.335 -9.240 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 5.335 -7.700 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 4.001 -11.550 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 6.668 -11.550 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 9.336 -10.010 0.000 0.00 0.00 O+0 HETATM 26 O UNK 0 9.336 -6.930 0.000 0.00 0.00 O+0 HETATM 27 N UNK 0 6.668 -2.310 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 5.335 -0.000 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 8.002 -0.000 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 3.437 1.334 0.000 0.00 0.00 O-1 HETATM 32 O UNK 0 1.897 -1.334 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 2.874 2.310 0.000 0.00 0.00 O-1 HETATM 34 O UNK 0 -0.206 2.310 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 0.000 6.160 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.334 6.930 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.334 8.470 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.667 6.160 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.001 6.930 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.335 6.160 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -8.002 6.160 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -6.668 8.470 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.002 9.240 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.002 10.780 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -9.336 11.550 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -10.669 10.780 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -12.003 11.550 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -13.337 10.780 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -14.670 11.550 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -14.670 13.090 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -16.004 13.860 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -16.004 15.400 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -17.338 16.170 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -18.672 15.400 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -20.005 16.170 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -21.339 15.400 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -22.673 16.170 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -22.673 17.710 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -24.006 18.480 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -24.006 20.020 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -25.340 20.790 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -26.674 20.020 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -26.674 18.480 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -28.007 17.710 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -29.341 18.480 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -29.341 20.020 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -28.007 20.790 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -28.007 22.330 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -29.341 23.100 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -29.341 24.640 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -28.007 25.410 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -28.007 26.950 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -26.674 27.720 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -26.674 29.260 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -25.340 30.030 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -25.340 31.570 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -24.006 32.340 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -24.006 33.880 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -22.673 31.570 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -25.340 26.950 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -30.675 22.330 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -30.675 17.710 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -25.340 22.330 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -24.006 15.400 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -17.338 17.710 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -16.004 10.780 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -9.336 13.090 0.000 0.00 0.00 C+0 CONECT 1 2 35 CONECT 2 1 3 33 34 CONECT 3 2 4 CONECT 4 3 5 31 32 CONECT 5 4 6 CONECT 6 5 7 11 CONECT 7 6 8 27 CONECT 8 7 9 15 CONECT 9 8 10 14 CONECT 10 9 11 12 CONECT 11 10 6 CONECT 12 10 13 CONECT 13 12 CONECT 14 9 CONECT 15 8 16 CONECT 16 15 17 21 CONECT 17 16 18 26 CONECT 18 17 19 25 CONECT 19 18 20 24 CONECT 20 19 21 22 CONECT 21 20 16 CONECT 22 20 23 CONECT 23 22 CONECT 24 19 CONECT 25 18 CONECT 26 17 CONECT 27 7 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 CONECT 31 4 CONECT 32 4 CONECT 33 2 CONECT 34 2 CONECT 35 1 36 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 89 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 52 88 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 87 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 86 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 85 CONECT 64 63 65 CONECT 65 64 66 CONECT 66 65 67 CONECT 67 66 68 84 CONECT 68 67 69 CONECT 69 68 70 CONECT 70 69 71 CONECT 71 70 72 83 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 82 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 CONECT 82 75 CONECT 83 71 CONECT 84 67 CONECT 85 63 CONECT 86 59 CONECT 87 55 CONECT 88 51 CONECT 89 47 MASTER 0 0 0 0 0 0 0 0 89 0 180 0 END SMILES for #<Metabolite:0x00007fdb717a2520>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1NC(C)=O INCHI for #<Metabolite:0x00007fdb717a2520>InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64+,65+,66+,67-,68-,69-/m1/s1 3D Structure for #<Metabolite:0x00007fdb717a2520> | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Formula | C69H113NO17P2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1290.602 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1289.749472338 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl {[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl phosphono]oxy}phosphonate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl [(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl phosphono]oxyphosphonate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1NC(C)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64+,65+,66+,67-,68-,69-/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | WZXSCLOEBAZOTJ-AIXVZFPVSA-L | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Functional Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
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Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cellular Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biospecimen Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated OMIM IDs | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Human Proteins and Enzymes | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Human Pathways | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Pathways |
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Metabolic Reactions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reactions
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Health Effects and Bioactivity | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Microbial Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Exposure Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Host Biospecimen and Location | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FooDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 155289507 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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