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Showing NP-Card for Retinyl palmitate (NP0002763)
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Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-11-23 19:39:48 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-08-19 23:59:20 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0002763 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Retinyl palmitate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | BMRB | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Retinyl palmitate, also known as aquasol a or vitamin a palmitate, belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position. Retinyl palmitate is a drug. In humans, retinyl palmitate is involved in the retinol metabolism pathway. Retinyl palmitate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. It was first documented in 1988 (PMID: 3349096). Based on a literature review a significant number of articles have been published on Retinyl palmitate (PMID: 17984079) (PMID: 15045249) (PMID: 11448569) (PMID: 10404832). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0002763 (Retinyl palmitate)RDKit 2D 98 98 0 0 0 0 0 0 0 0999 V2000 -21.8732 -2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4089 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9445 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4801 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0158 -0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5514 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0870 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6227 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1583 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6939 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2296 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7652 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 2.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 2.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 4.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 2.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0483 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5263 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0043 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 -1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4687 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4823 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9467 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3974 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3838 1.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8618 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8754 -0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4247 -1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9603 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5347 -3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6954 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1982 -0.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.5482 -3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.3376 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0839 -3.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.7339 -0.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2695 0.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6195 -2.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1551 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8051 0.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3408 0.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6908 -2.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2264 -1.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8764 0.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4120 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7620 -1.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2977 -1.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9477 1.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4833 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8333 -0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3689 -0.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0189 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5546 2.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9046 -0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4402 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0902 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9758 0.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 0.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 3.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6971 3.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 0.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 3.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 3.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 -0.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -1.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 2.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0756 -0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1229 -1.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9843 -2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1029 -3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6478 0.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0316 -2.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3577 2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3701 2.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4606 2.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1267 1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7883 1.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2061 -0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9119 -1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5565 -2.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2294 -4.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3028 -3.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1090 -4.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6071 -1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3415 -4.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4305 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 30 1 1 1 39 1 1 1 40 1 0 1 41 1 0 2 42 1 6 2 43 1 0 3 44 1 1 3 45 1 0 4 46 1 1 4 47 1 0 5 48 1 1 5 49 1 0 6 50 1 1 6 51 1 0 7 52 1 1 7 53 1 0 8 54 1 1 8 55 1 0 9 56 1 6 9 57 1 0 10 58 1 6 10 59 1 0 11 60 1 6 11 61 1 0 12 62 1 6 12 63 1 0 13 64 1 1 13 65 1 0 14 66 1 6 14 67 1 0 15 68 1 1 15 69 1 0 19 70 1 1 19 71 1 0 20 72 1 0 22 73 1 6 22 74 1 0 22 75 1 0 23 76 1 0 24 77 1 0 25 78 1 0 27 79 1 1 27 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 32 84 1 1 32 85 1 0 32 86 1 0 33 87 1 6 33 88 1 0 34 89 1 6 34 90 1 0 35 91 1 6 35 92 1 0 37 93 1 1 37 94 1 0 37 95 1 0 38 96 1 6 38 97 1 0 38 98 1 0 M END 3D MOL for NP0002763 (Retinyl palmitate)NP0002763 RDKit 3D 98 98 0 0 0 0 0 0 0 0999 V2000 13.3691 -0.3701 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7048 -1.6844 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6802 -1.8454 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3577 -1.2511 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0692 0.1945 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2584 0.8921 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3766 0.4060 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 0.9248 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 0.7826 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 1.4682 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 0.7552 1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -0.6426 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -0.5006 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 -1.7868 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -1.5872 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.6595 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 -1.0262 -1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 0.6064 -0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.5917 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 1.1900 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 1.1134 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 1.4869 -1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 0.7707 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 0.5881 1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 0.3872 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3957 0.4243 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8423 0.6891 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 0.1728 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6462 0.2046 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0861 -0.0395 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7867 0.0173 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1032 0.3103 -2.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2424 -0.2039 -1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6907 -1.0244 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2502 -0.2527 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 -0.3143 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4079 0.7227 2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4652 -1.7366 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 0.3856 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5060 -0.4782 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2279 0.0429 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5293 -2.4811 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -1.9425 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4958 -3.0024 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 -1.6576 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 -1.8174 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7984 -1.6220 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 0.4364 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 0.7211 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 1.1093 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8787 1.9989 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -0.7383 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9028 0.6068 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 2.0140 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 0.3296 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 -0.2587 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 1.3692 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 1.5018 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 2.5271 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 1.3156 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 0.7349 2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.2626 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 -1.1720 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 0.1611 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 -0.0908 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.2283 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 -2.5451 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 -1.2297 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 -2.5831 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 2.4209 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 2.0827 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5422 0.9121 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 2.1722 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 2.0227 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 0.5562 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 0.3413 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 1.1904 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 0.1483 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 0.1127 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8075 1.7158 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8488 0.1364 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1462 -0.0295 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2332 0.4345 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2968 -0.4435 -2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6934 1.3198 -2.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8149 0.1519 -3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8099 0.7373 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4513 -0.8047 -2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8049 -1.0336 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2816 -2.0607 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7482 -0.5917 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4679 0.8298 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3501 1.1978 2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8432 1.5867 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9457 0.2750 2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3212 -2.0319 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4918 -1.8947 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4901 -2.3724 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 30 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 22 73 1 0 22 74 1 0 22 75 1 0 23 76 1 0 24 77 1 0 25 78 1 0 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 32 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 37 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 38 98 1 0 M END 3D SDF for NP0002763 (Retinyl palmitate)RDKit 2D 98 98 0 0 0 0 0 0 0 0999 V2000 -21.8732 -2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4089 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9445 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4801 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0158 -0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5514 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0870 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6227 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1583 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6939 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2296 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7652 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 2.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 2.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 4.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 1.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 2.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0483 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5263 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0043 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 -1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4687 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4823 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9467 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3974 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3838 1.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8618 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8754 -0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4247 -1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9603 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5347 -3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6954 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1982 -0.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.5482 -3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.3376 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0839 -3.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.7339 -0.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2695 0.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6195 -2.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1551 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8051 0.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3408 0.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6908 -2.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2264 -1.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8764 0.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4120 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7620 -1.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2977 -1.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9477 1.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4833 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8333 -0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3689 -0.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0189 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5546 2.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9046 -0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4402 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0902 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9758 0.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 0.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 3.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6971 3.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 0.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 3.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 3.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 -0.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -1.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 2.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0756 -0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1229 -1.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9843 -2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1029 -3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6478 0.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0316 -2.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3577 2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3701 2.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4606 2.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1267 1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7883 1.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2061 -0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9119 -1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5565 -2.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2294 -4.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3028 -3.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1090 -4.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6071 -1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3415 -4.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4305 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 30 1 1 1 39 1 1 1 40 1 0 1 41 1 0 2 42 1 6 2 43 1 0 3 44 1 1 3 45 1 0 4 46 1 1 4 47 1 0 5 48 1 1 5 49 1 0 6 50 1 1 6 51 1 0 7 52 1 1 7 53 1 0 8 54 1 1 8 55 1 0 9 56 1 6 9 57 1 0 10 58 1 6 10 59 1 0 11 60 1 6 11 61 1 0 12 62 1 6 12 63 1 0 13 64 1 1 13 65 1 0 14 66 1 6 14 67 1 0 15 68 1 1 15 69 1 0 19 70 1 1 19 71 1 0 20 72 1 0 22 73 1 6 22 74 1 0 22 75 1 0 23 76 1 0 24 77 1 0 25 78 1 0 27 79 1 1 27 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 32 84 1 1 32 85 1 0 32 86 1 0 33 87 1 6 33 88 1 0 34 89 1 6 34 90 1 0 35 91 1 6 35 92 1 0 37 93 1 1 37 94 1 0 37 95 1 0 38 96 1 6 38 97 1 0 38 98 1 0 M END > <DATABASE_ID> NP0002763 > <DATABASE_NAME> NP-MRD > <SMILES> CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C > <INCHI_IDENTIFIER> InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ > <INCHI_KEY> VYGQUTWHTHXGQB-FFHKNEKCSA-N > <FORMULA> C36H60O2 > <MOLECULAR_WEIGHT> 524.8604 > <EXACT_MASS> 524.459331164 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_AVERAGE_POLARIZABILITY> 70.50311302463982 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate > <ALOGPS_LOGP> 10.12 > <JCHEM_LOGP> 11.615147075333335 > <ALOGPS_LOGS> -6.81 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -7.04338460696517 > <JCHEM_POLAR_SURFACE_AREA> 26.3 > <JCHEM_REFRACTIVITY> 171.5148 > <JCHEM_ROTATABLE_BOND_COUNT> 21 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 8.07e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> vitamin a palmitate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0002763 (Retinyl palmitate)NP0002763 RDKit 3D 98 98 0 0 0 0 0 0 0 0999 V2000 13.3691 -0.3701 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7048 -1.6844 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6802 -1.8454 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3577 -1.2511 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0692 0.1945 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2584 0.8921 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3766 0.4060 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 0.9248 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 0.7826 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 1.4682 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 0.7552 1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -0.6426 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -0.5006 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 -1.7868 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -1.5872 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.6595 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 -1.0262 -1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 0.6064 -0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.5917 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 1.1900 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 1.1134 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 1.4869 -1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 0.7707 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 0.5881 1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 0.3872 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3957 0.4243 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8423 0.6891 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 0.1728 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6462 0.2046 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0861 -0.0395 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7867 0.0173 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1032 0.3103 -2.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2424 -0.2039 -1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6907 -1.0244 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2502 -0.2527 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 -0.3143 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4079 0.7227 2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4652 -1.7366 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 0.3856 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5060 -0.4782 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2279 0.0429 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5293 -2.4811 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -1.9425 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4958 -3.0024 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 -1.6576 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 -1.8174 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7984 -1.6220 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 0.4364 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 0.7211 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 1.1093 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8787 1.9989 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -0.7383 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9028 0.6068 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 2.0140 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 0.3296 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 -0.2587 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 1.3692 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 1.5018 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 2.5271 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 1.3156 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 0.7349 2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.2626 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 -1.1720 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 0.1611 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 -0.0908 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.2283 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 -2.5451 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 -1.2297 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 -2.5831 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 2.4209 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 2.0827 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5422 0.9121 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 2.1722 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 2.0227 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 0.5562 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 0.3413 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 1.1904 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 0.1483 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 0.1127 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8075 1.7158 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8488 0.1364 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1462 -0.0295 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2332 0.4345 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2968 -0.4435 -2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6934 1.3198 -2.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8149 0.1519 -3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8099 0.7373 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4513 -0.8047 -2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8049 -1.0336 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2816 -2.0607 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7482 -0.5917 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4679 0.8298 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3501 1.1978 2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8432 1.5867 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9457 0.2750 2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3212 -2.0319 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4918 -1.8947 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4901 -2.3724 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 30 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 22 73 1 0 22 74 1 0 22 75 1 0 23 76 1 0 24 77 1 0 25 78 1 0 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 32 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 37 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 38 98 1 0 M END PDB for NP0002763 (Retinyl palmitate)HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 O UNK 0 33.464 -28.889 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 34.823 -26.593 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 45.476 -28.249 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 44.133 -29.005 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 46.801 -29.033 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 42.808 -28.220 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 48.143 -28.278 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 41.466 -28.976 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 49.468 -29.063 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 40.141 -28.191 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 50.810 -28.307 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 38.799 -28.947 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 52.135 -29.091 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 37.474 -28.162 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 53.477 -28.336 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 36.132 -28.918 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 32.139 -28.105 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 54.803 -29.120 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 19.587 -26.635 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 18.047 -26.618 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 29.489 -26.536 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 24.154 -26.478 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 21.437 -31.069 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 18.803 -27.960 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 17.461 -28.715 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 17.444 -30.255 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 18.770 -31.040 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 34.806 -28.133 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 29.472 -28.076 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 24.137 -28.018 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 30.797 -28.860 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 25.463 -28.802 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 28.130 -28.831 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 26.805 -28.047 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 22.795 -28.773 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 21.470 -27.989 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 20.111 -30.284 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 20.128 -28.744 0.000 0.00 0.00 C+0 CONECT 1 17 28 CONECT 2 28 CONECT 3 4 5 CONECT 4 3 6 CONECT 5 3 7 CONECT 6 4 8 CONECT 7 5 9 CONECT 8 6 10 CONECT 9 7 11 CONECT 10 8 12 CONECT 11 9 13 CONECT 12 10 14 CONECT 13 11 15 CONECT 14 12 16 CONECT 15 13 18 CONECT 16 14 28 CONECT 17 1 31 CONECT 18 15 CONECT 19 24 CONECT 20 24 CONECT 21 29 CONECT 22 30 CONECT 23 37 CONECT 24 19 20 25 38 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 37 CONECT 28 1 2 16 CONECT 29 21 31 33 CONECT 30 22 32 35 CONECT 31 17 29 CONECT 32 30 34 CONECT 33 29 34 CONECT 34 32 33 CONECT 35 30 36 CONECT 36 35 38 CONECT 37 23 27 38 CONECT 38 24 36 37 MASTER 0 0 0 0 0 0 0 0 38 0 76 0 END 3D PDB for NP0002763 (Retinyl palmitate)COMPND NP0002763 HETATM 1 C1 UNL 1 13.369 -0.370 0.276 1.00 0.00 C HETATM 2 C2 UNL 1 12.705 -1.684 0.126 1.00 0.00 C HETATM 3 C3 UNL 1 11.680 -1.845 -0.908 1.00 0.00 C HETATM 4 C4 UNL 1 10.358 -1.251 -0.948 1.00 0.00 C HETATM 5 C5 UNL 1 10.069 0.195 -0.876 1.00 0.00 C HETATM 6 C6 UNL 1 10.258 0.892 0.417 1.00 0.00 C HETATM 7 C7 UNL 1 9.377 0.406 1.525 1.00 0.00 C HETATM 8 C8 UNL 1 8.008 0.925 1.538 1.00 0.00 C HETATM 9 C9 UNL 1 7.141 0.783 0.366 1.00 0.00 C HETATM 10 C10 UNL 1 5.800 1.468 0.749 1.00 0.00 C HETATM 11 C11 UNL 1 5.129 0.755 1.841 1.00 0.00 C HETATM 12 C12 UNL 1 4.695 -0.643 1.422 1.00 0.00 C HETATM 13 C13 UNL 1 3.708 -0.501 0.250 1.00 0.00 C HETATM 14 C14 UNL 1 3.111 -1.787 -0.197 1.00 0.00 C HETATM 15 C15 UNL 1 2.229 -1.587 -1.396 1.00 0.00 C HETATM 16 C16 UNL 1 1.118 -0.660 -1.209 1.00 0.00 C HETATM 17 O1 UNL 1 -0.081 -1.026 -1.499 1.00 0.00 O HETATM 18 O2 UNL 1 1.295 0.606 -0.737 1.00 0.00 O HETATM 19 C17 UNL 1 0.290 1.592 -0.544 1.00 0.00 C HETATM 20 C18 UNL 1 -0.789 1.190 0.333 1.00 0.00 C HETATM 21 C19 UNL 1 -2.104 1.113 0.016 1.00 0.00 C HETATM 22 C20 UNL 1 -2.445 1.487 -1.385 1.00 0.00 C HETATM 23 C21 UNL 1 -3.010 0.771 1.021 1.00 0.00 C HETATM 24 C22 UNL 1 -4.226 0.588 1.131 1.00 0.00 C HETATM 25 C23 UNL 1 -5.562 0.387 1.253 1.00 0.00 C HETATM 26 C24 UNL 1 -6.396 0.424 0.230 1.00 0.00 C HETATM 27 C25 UNL 1 -5.842 0.689 -1.104 1.00 0.00 C HETATM 28 C26 UNL 1 -7.817 0.173 0.492 1.00 0.00 C HETATM 29 C27 UNL 1 -8.646 0.205 -0.513 1.00 0.00 C HETATM 30 C28 UNL 1 -10.086 -0.040 -0.334 1.00 0.00 C HETATM 31 C29 UNL 1 -10.787 0.017 -1.472 1.00 0.00 C HETATM 32 C30 UNL 1 -10.103 0.310 -2.787 1.00 0.00 C HETATM 33 C31 UNL 1 -12.242 -0.204 -1.574 1.00 0.00 C HETATM 34 C32 UNL 1 -12.691 -1.024 -0.379 1.00 0.00 C HETATM 35 C33 UNL 1 -12.250 -0.253 0.818 1.00 0.00 C HETATM 36 C34 UNL 1 -10.714 -0.314 0.965 1.00 0.00 C HETATM 37 C35 UNL 1 -10.408 0.723 2.029 1.00 0.00 C HETATM 38 C36 UNL 1 -10.465 -1.737 1.463 1.00 0.00 C HETATM 39 H1 UNL 1 13.063 0.386 -0.472 1.00 0.00 H HETATM 40 H2 UNL 1 14.506 -0.478 0.202 1.00 0.00 H HETATM 41 H3 UNL 1 13.228 0.043 1.295 1.00 0.00 H HETATM 42 H4 UNL 1 13.529 -2.481 0.015 1.00 0.00 H HETATM 43 H5 UNL 1 12.205 -1.943 1.127 1.00 0.00 H HETATM 44 H6 UNL 1 11.496 -3.002 -0.958 1.00 0.00 H HETATM 45 H7 UNL 1 12.173 -1.658 -1.958 1.00 0.00 H HETATM 46 H8 UNL 1 9.737 -1.817 -0.152 1.00 0.00 H HETATM 47 H9 UNL 1 9.798 -1.622 -1.891 1.00 0.00 H HETATM 48 H10 UNL 1 9.097 0.436 -1.338 1.00 0.00 H HETATM 49 H11 UNL 1 10.791 0.721 -1.643 1.00 0.00 H HETATM 50 H12 UNL 1 11.261 1.109 0.769 1.00 0.00 H HETATM 51 H13 UNL 1 9.879 1.999 0.166 1.00 0.00 H HETATM 52 H14 UNL 1 9.284 -0.738 1.465 1.00 0.00 H HETATM 53 H15 UNL 1 9.903 0.607 2.517 1.00 0.00 H HETATM 54 H16 UNL 1 7.997 2.014 1.919 1.00 0.00 H HETATM 55 H17 UNL 1 7.474 0.330 2.386 1.00 0.00 H HETATM 56 H18 UNL 1 7.001 -0.259 0.084 1.00 0.00 H HETATM 57 H19 UNL 1 7.487 1.369 -0.530 1.00 0.00 H HETATM 58 H20 UNL 1 5.212 1.502 -0.173 1.00 0.00 H HETATM 59 H21 UNL 1 6.057 2.527 1.072 1.00 0.00 H HETATM 60 H22 UNL 1 4.128 1.316 1.994 1.00 0.00 H HETATM 61 H23 UNL 1 5.647 0.735 2.825 1.00 0.00 H HETATM 62 H24 UNL 1 5.527 -1.263 1.049 1.00 0.00 H HETATM 63 H25 UNL 1 4.231 -1.172 2.270 1.00 0.00 H HETATM 64 H26 UNL 1 2.918 0.161 0.667 1.00 0.00 H HETATM 65 H27 UNL 1 4.270 -0.091 -0.596 1.00 0.00 H HETATM 66 H28 UNL 1 2.440 -2.228 0.603 1.00 0.00 H HETATM 67 H29 UNL 1 3.873 -2.545 -0.405 1.00 0.00 H HETATM 68 H30 UNL 1 2.838 -1.230 -2.278 1.00 0.00 H HETATM 69 H31 UNL 1 1.804 -2.583 -1.742 1.00 0.00 H HETATM 70 H32 UNL 1 0.867 2.421 0.025 1.00 0.00 H HETATM 71 H33 UNL 1 0.047 2.083 -1.487 1.00 0.00 H HETATM 72 H34 UNL 1 -0.542 0.912 1.371 1.00 0.00 H HETATM 73 H35 UNL 1 -1.739 2.172 -1.842 1.00 0.00 H HETATM 74 H36 UNL 1 -3.441 2.023 -1.377 1.00 0.00 H HETATM 75 H37 UNL 1 -2.585 0.556 -1.956 1.00 0.00 H HETATM 76 H38 UNL 1 -2.584 0.341 2.010 1.00 0.00 H HETATM 77 H39 UNL 1 -4.172 1.190 2.405 1.00 0.00 H HETATM 78 H40 UNL 1 -6.084 0.148 2.231 1.00 0.00 H HETATM 79 H41 UNL 1 -6.449 0.113 -1.863 1.00 0.00 H HETATM 80 H42 UNL 1 -5.808 1.716 -1.431 1.00 0.00 H HETATM 81 H43 UNL 1 -4.849 0.136 -1.182 1.00 0.00 H HETATM 82 H44 UNL 1 -8.146 -0.030 1.474 1.00 0.00 H HETATM 83 H45 UNL 1 -8.233 0.435 -1.481 1.00 0.00 H HETATM 84 H46 UNL 1 -9.297 -0.443 -2.951 1.00 0.00 H HETATM 85 H47 UNL 1 -9.693 1.320 -2.834 1.00 0.00 H HETATM 86 H48 UNL 1 -10.815 0.152 -3.625 1.00 0.00 H HETATM 87 H49 UNL 1 -12.810 0.737 -1.634 1.00 0.00 H HETATM 88 H50 UNL 1 -12.451 -0.805 -2.511 1.00 0.00 H HETATM 89 H51 UNL 1 -13.805 -1.034 -0.383 1.00 0.00 H HETATM 90 H52 UNL 1 -12.282 -2.061 -0.439 1.00 0.00 H HETATM 91 H53 UNL 1 -12.748 -0.592 1.742 1.00 0.00 H HETATM 92 H54 UNL 1 -12.468 0.830 0.611 1.00 0.00 H HETATM 93 H55 UNL 1 -11.350 1.198 2.447 1.00 0.00 H HETATM 94 H56 UNL 1 -9.843 1.587 1.622 1.00 0.00 H HETATM 95 H57 UNL 1 -9.946 0.275 2.947 1.00 0.00 H HETATM 96 H58 UNL 1 -11.321 -2.032 2.073 1.00 0.00 H HETATM 97 H59 UNL 1 -9.492 -1.895 1.914 1.00 0.00 H HETATM 98 H60 UNL 1 -10.490 -2.372 0.530 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 42 43 CONECT 3 4 44 45 CONECT 4 5 46 47 CONECT 5 6 48 49 CONECT 6 7 50 51 CONECT 7 8 52 53 CONECT 8 9 54 55 CONECT 9 10 56 57 CONECT 10 11 58 59 CONECT 11 12 60 61 CONECT 12 13 62 63 CONECT 13 14 64 65 CONECT 14 15 66 67 CONECT 15 16 68 69 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 70 71 CONECT 20 21 21 72 CONECT 21 22 23 CONECT 22 73 74 75 CONECT 23 24 24 76 CONECT 24 25 77 CONECT 25 26 26 78 CONECT 26 27 28 CONECT 27 79 80 81 CONECT 28 29 29 82 CONECT 29 30 83 CONECT 30 31 31 36 CONECT 31 32 33 CONECT 32 84 85 86 CONECT 33 34 87 88 CONECT 34 35 89 90 CONECT 35 36 91 92 CONECT 36 37 38 CONECT 37 93 94 95 CONECT 38 96 97 98 END SMILES for NP0002763 (Retinyl palmitate)CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C INCHI for NP0002763 (Retinyl palmitate)InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ 3D Structure for NP0002763 (Retinyl palmitate) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C36H60O2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 524.8604 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 524.45933 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | vitamin a palmitate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | VYGQUTWHTHXGQB-FFHKNEKCSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Fatty Acyls | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Fatty acid esters | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Wax monoesters | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Substituents |
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Molecular Framework | Aliphatic homomonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors |
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Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0003648 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | DBSALT000855 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | FDB030671 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 4444162 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | C02588 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | CHOCOLA_A | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Retinyl_palmitate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 5280531 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | 17616 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | rw1302861 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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