Showing NP-Card for 13-methyl-N-(2-phenylethyl)tetradecanamide (NP0007073)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:57:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:56:35 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0007073 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | 13-methyl-N-(2-phenylethyl)tetradecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | 13-methyl-N-(2-phenylethyl)tetradecanamide is found in Streptomyces sp. Lz531. 13-methyl-N-(2-phenylethyl)tetradecanamide was first documented in 2007 (PMID: 17510985). Based on a literature review very few articles have been published on 13-methyl-n-(2-phenylethyl)tetradecanamide. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)Mrv1652306242118373D 64 64 0 0 0 0 999 V2000 -7.2536 -1.8617 2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -1.0455 2.2888 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8607 -1.9160 2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -0.1977 1.0832 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3992 -1.0578 -0.1337 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0516 -0.1667 -1.2944 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8189 0.6557 -1.0244 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6125 -0.2124 -0.7521 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4089 0.6724 -0.4950 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2122 -0.1863 -0.2247 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1311 -1.1045 -1.3695 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4367 -0.3613 -2.6242 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5808 0.5647 -2.4441 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8207 -0.1899 -2.0507 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9418 0.8095 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 2.0034 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 0.3429 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 1.2280 -1.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0496 2.2090 -0.2669 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8356 1.5059 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 1.2324 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8443 0.5950 2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 0.2400 3.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 0.5166 2.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 1.1608 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 -2.9371 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0043 -1.6269 2.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -1.5832 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1849 -0.3221 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.2885 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.6088 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -2.5638 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.3067 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 0.5655 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -1.6681 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -1.7503 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -0.8152 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9461 0.4887 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 1.3253 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 1.3474 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -0.8300 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.8775 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 1.4001 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 1.2500 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.8441 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 0.3924 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.7192 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -1.8550 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 0.2511 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 -1.0947 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.3332 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.1776 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.9252 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 -0.6712 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -0.6710 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.6523 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 1.7771 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 2.7707 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 2.9538 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 1.5229 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 0.3547 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.2669 4.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.2325 3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 1.3803 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 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 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 M END 3D MOL for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)RDKit 3D 64 64 0 0 0 0 0 0 0 0999 V2000 -7.2536 -1.8617 2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -1.0455 2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 -1.9160 2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -0.1977 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.0578 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -0.1667 -1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 0.6557 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.2124 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 0.6724 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.1863 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -1.1045 -1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 -0.3613 -2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 0.5647 -2.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -0.1899 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.8095 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 2.0034 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 0.3429 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 1.2280 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 2.2090 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 1.5059 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 1.2324 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8443 0.5950 2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 0.2400 3.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 0.5166 2.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 1.1608 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 -2.9371 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0043 -1.6269 2.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -1.5832 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1849 -0.3221 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.2885 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.6088 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -2.5638 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.3067 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 0.5655 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -1.6681 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -1.7503 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -0.8152 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9461 0.4887 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 1.3253 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 1.3474 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -0.8300 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.8775 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 1.4001 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 1.2500 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.8441 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 0.3924 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.7192 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -1.8550 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 0.2511 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 -1.0947 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.3332 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.1776 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.9252 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 -0.6712 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -0.6710 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.6523 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 1.7771 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 2.7707 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 2.9538 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 1.5229 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 0.3547 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.2669 4.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.2325 3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 1.3803 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 M END 3D SDF for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)Mrv1652306242118373D 64 64 0 0 0 0 999 V2000 -7.2536 -1.8617 2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -1.0455 2.2888 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8607 -1.9160 2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -0.1977 1.0832 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3992 -1.0578 -0.1337 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0516 -0.1667 -1.2944 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8189 0.6557 -1.0244 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6125 -0.2124 -0.7521 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4089 0.6724 -0.4950 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2122 -0.1863 -0.2247 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1311 -1.1045 -1.3695 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4367 -0.3613 -2.6242 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5808 0.5647 -2.4441 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8207 -0.1899 -2.0507 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9418 0.8095 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 2.0034 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 0.3429 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 1.2280 -1.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0496 2.2090 -0.2669 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8356 1.5059 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 1.2324 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8443 0.5950 2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 0.2400 3.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 0.5166 2.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 1.1608 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 -2.9371 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0043 -1.6269 2.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -1.5832 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1849 -0.3221 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.2885 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.6088 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -2.5638 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.3067 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 0.5655 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -1.6681 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -1.7503 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -0.8152 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9461 0.4887 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 1.3253 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 1.3474 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -0.8300 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.8775 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 1.4001 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 1.2500 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.8441 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 0.3924 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.7192 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -1.8550 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 0.2511 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 -1.0947 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.3332 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.1776 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.9252 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 -0.6712 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -0.6710 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.6523 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 1.7771 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 2.7707 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 2.9538 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 1.5229 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 0.3547 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.2669 4.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.2325 3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 1.3803 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 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 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 M END > <DATABASE_ID> NP0007073 > <DATABASE_NAME> NP-MRD > <SMILES> [H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] > <INCHI_IDENTIFIER> InChI=1S/C23H39NO/c1-21(2)15-11-8-6-4-3-5-7-9-14-18-23(25)24-20-19-22-16-12-10-13-17-22/h10,12-13,16-17,21H,3-9,11,14-15,18-20H2,1-2H3,(H,24,25) > <INCHI_KEY> FCQIQDUWTDUYLC-UHFFFAOYSA-N > <FORMULA> C23H39NO > <MOLECULAR_WEIGHT> 345.571 > <EXACT_MASS> 345.30316488 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 64 > <JCHEM_AVERAGE_POLARIZABILITY> 43.60771432246602 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 13-methyl-N-(2-phenylethyl)tetradecanamide > <ALOGPS_LOGP> 7.19 > <JCHEM_LOGP> 7.084332318333333 > <ALOGPS_LOGS> -6.76 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 16.2525345919393 > <JCHEM_PKA_STRONGEST_BASIC> -1.266157372346464 > <JCHEM_POLAR_SURFACE_AREA> 29.1 > <JCHEM_REFRACTIVITY> 108.51669999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 15 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.08e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> 13-methyl-N-(2-phenylethyl)tetradecanamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)RDKit 3D 64 64 0 0 0 0 0 0 0 0999 V2000 -7.2536 -1.8617 2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -1.0455 2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 -1.9160 2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -0.1977 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.0578 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -0.1667 -1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 0.6557 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.2124 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 0.6724 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.1863 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -1.1045 -1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 -0.3613 -2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 0.5647 -2.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -0.1899 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.8095 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 2.0034 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 0.3429 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 1.2280 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 2.2090 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 1.5059 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 1.2324 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8443 0.5950 2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 0.2400 3.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 0.5166 2.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 1.1608 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 -2.9371 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0043 -1.6269 2.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -1.5832 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1849 -0.3221 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.2885 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.6088 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -2.5638 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.3067 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 0.5655 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -1.6681 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -1.7503 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -0.8152 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9461 0.4887 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 1.3253 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 1.3474 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -0.8300 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.8775 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 1.4001 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 1.2500 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.8441 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 0.3924 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.7192 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -1.8550 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 0.2511 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 -1.0947 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.3332 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.1776 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.9252 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 -0.6712 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -0.6710 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.6523 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 1.7771 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 2.7707 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 2.9538 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 1.5229 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 0.3547 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.2669 4.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.2325 3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 1.3803 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 M END PDB for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -7.254 -1.862 2.079 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.021 -1.046 2.289 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.861 -1.916 2.704 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.652 -0.198 1.083 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.399 -1.058 -0.134 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.052 -0.167 -1.294 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.819 0.656 -1.024 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.612 -0.212 -0.752 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.409 0.672 -0.495 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.212 -0.186 -0.225 0.00 0.00 C+0 HETATM 11 C UNK 0 0.131 -1.105 -1.369 0.00 0.00 C+0 HETATM 12 C UNK 0 0.437 -0.361 -2.624 0.00 0.00 C+0 HETATM 13 C UNK 0 1.581 0.565 -2.444 0.00 0.00 C+0 HETATM 14 C UNK 0 2.821 -0.190 -2.051 0.00 0.00 C+0 HETATM 15 C UNK 0 3.942 0.810 -1.904 0.00 0.00 C+0 HETATM 16 O UNK 0 3.665 2.003 -2.120 0.00 0.00 O+0 HETATM 17 N UNK 0 5.222 0.343 -1.535 0.00 0.00 N+0 HETATM 18 C UNK 0 6.336 1.228 -1.373 0.00 0.00 C+0 HETATM 19 C UNK 0 6.050 2.209 -0.267 0.00 0.00 C+0 HETATM 20 C UNK 0 5.836 1.506 1.028 0.00 0.00 C+0 HETATM 21 C UNK 0 6.971 1.232 1.778 0.00 0.00 C+0 HETATM 22 C UNK 0 6.844 0.595 2.989 0.00 0.00 C+0 HETATM 23 C UNK 0 5.594 0.240 3.435 0.00 0.00 C+0 HETATM 24 C UNK 0 4.473 0.517 2.682 0.00 0.00 C+0 HETATM 25 C UNK 0 4.576 1.161 1.453 0.00 0.00 C+0 HETATM 26 H UNK 0 -6.976 -2.937 2.122 0.00 0.00 H+0 HETATM 27 H UNK 0 -8.004 -1.627 2.861 0.00 0.00 H+0 HETATM 28 H UNK 0 -7.722 -1.583 1.110 0.00 0.00 H+0 HETATM 29 H UNK 0 -6.185 -0.322 3.127 0.00 0.00 H+0 HETATM 30 H UNK 0 -4.045 -1.289 3.114 0.00 0.00 H+0 HETATM 31 H UNK 0 -4.526 -2.609 1.909 0.00 0.00 H+0 HETATM 32 H UNK 0 -5.247 -2.564 3.539 0.00 0.00 H+0 HETATM 33 H UNK 0 -4.698 0.307 1.367 0.00 0.00 H+0 HETATM 34 H UNK 0 -6.402 0.566 0.870 0.00 0.00 H+0 HETATM 35 H UNK 0 -6.318 -1.668 -0.370 0.00 0.00 H+0 HETATM 36 H UNK 0 -4.541 -1.750 0.060 0.00 0.00 H+0 HETATM 37 H UNK 0 -4.898 -0.815 -2.203 0.00 0.00 H+0 HETATM 38 H UNK 0 -5.946 0.489 -1.481 0.00 0.00 H+0 HETATM 39 H UNK 0 -3.632 1.325 -1.912 0.00 0.00 H+0 HETATM 40 H UNK 0 -3.940 1.347 -0.170 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.743 -0.830 0.151 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.486 -0.878 -1.616 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.250 1.400 -1.304 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.630 1.250 0.419 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.476 -0.844 0.652 0.00 0.00 H+0 HETATM 46 H UNK 0 0.668 0.392 0.091 0.00 0.00 H+0 HETATM 47 H UNK 0 0.998 -1.719 -1.075 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.699 -1.855 -1.526 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.436 0.251 -2.977 0.00 0.00 H+0 HETATM 50 H UNK 0 0.614 -1.095 -3.440 0.00 0.00 H+0 HETATM 51 H UNK 0 1.300 1.333 -1.681 0.00 0.00 H+0 HETATM 52 H UNK 0 1.762 1.178 -3.373 0.00 0.00 H+0 HETATM 53 H UNK 0 3.030 -0.925 -2.836 0.00 0.00 H+0 HETATM 54 H UNK 0 2.689 -0.671 -1.036 0.00 0.00 H+0 HETATM 55 H UNK 0 5.362 -0.671 -1.376 0.00 0.00 H+0 HETATM 56 H UNK 0 7.287 0.652 -1.153 0.00 0.00 H+0 HETATM 57 H UNK 0 6.587 1.777 -2.310 0.00 0.00 H+0 HETATM 58 H UNK 0 5.135 2.771 -0.531 0.00 0.00 H+0 HETATM 59 H UNK 0 6.871 2.954 -0.176 0.00 0.00 H+0 HETATM 60 H UNK 0 7.960 1.523 1.407 0.00 0.00 H+0 HETATM 61 H UNK 0 7.690 0.355 3.619 0.00 0.00 H+0 HETATM 62 H UNK 0 5.494 -0.267 4.398 0.00 0.00 H+0 HETATM 63 H UNK 0 3.492 0.233 3.042 0.00 0.00 H+0 HETATM 64 H UNK 0 3.674 1.380 0.868 0.00 0.00 H+0 CONECT 1 2 26 27 28 CONECT 2 1 3 4 29 CONECT 3 2 30 31 32 CONECT 4 2 5 33 34 CONECT 5 4 6 35 36 CONECT 6 5 7 37 38 CONECT 7 6 8 39 40 CONECT 8 7 9 41 42 CONECT 9 8 10 43 44 CONECT 10 9 11 45 46 CONECT 11 10 12 47 48 CONECT 12 11 13 49 50 CONECT 13 12 14 51 52 CONECT 14 13 15 53 54 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 55 CONECT 18 17 19 56 57 CONECT 19 18 20 58 59 CONECT 20 19 21 25 CONECT 21 20 22 60 CONECT 22 21 23 61 CONECT 23 22 24 62 CONECT 24 23 25 63 CONECT 25 24 20 64 CONECT 26 1 CONECT 27 1 CONECT 28 1 CONECT 29 2 CONECT 30 3 CONECT 31 3 CONECT 32 3 CONECT 33 4 CONECT 34 4 CONECT 35 5 CONECT 36 5 CONECT 37 6 CONECT 38 6 CONECT 39 7 CONECT 40 7 CONECT 41 8 CONECT 42 8 CONECT 43 9 CONECT 44 9 CONECT 45 10 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 12 CONECT 50 12 CONECT 51 13 CONECT 52 13 CONECT 53 14 CONECT 54 14 CONECT 55 17 CONECT 56 18 CONECT 57 18 CONECT 58 19 CONECT 59 19 CONECT 60 21 CONECT 61 22 CONECT 62 23 CONECT 63 24 CONECT 64 25 MASTER 0 0 0 0 0 0 0 0 64 0 128 0 END SMILES for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] INCHI for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide)InChI=1S/C23H39NO/c1-21(2)15-11-8-6-4-3-5-7-9-14-18-23(25)24-20-19-22-16-12-10-13-17-22/h10,12-13,16-17,21H,3-9,11,14-15,18-20H2,1-2H3,(H,24,25) 3D Structure for NP0007073 (13-methyl-N-(2-phenylethyl)tetradecanamide) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C23H39NO | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 345.5710 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 345.30316 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 13-methyl-N-(2-phenylethyl)tetradecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 13-methyl-N-(2-phenylethyl)tetradecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)CCCCCCCCCCCC(=O)NCCC1=CC=CC=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C23H39NO/c1-21(2)15-11-8-6-4-3-5-7-9-14-18-23(25)24-20-19-22-16-12-10-13-17-22/h10,12-13,16-17,21H,3-9,11,14-15,18-20H2,1-2H3,(H,24,25) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FCQIQDUWTDUYLC-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA016944 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 21375904 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 71423767 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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