Showing metabocard for 1-Nonadecanoyl-Glycero-3-Phosphate (MMDBc0049053)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Detected and Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2022-04-29 22:19:16 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2024-04-30 20:37:57 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite ID | MMDBc0049053 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | 1-Nonadecanoyl-Glycero-3-Phosphate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | 1-Nonadecanoyl-Glycero-3-Phosphate, also known as LysoPA(19:0/0:0), is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. 1-Nonadecanoyl-Glycero-3-Phosphate, in particular, consists of one chain of nonadecylic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for #<Metabolite:0x00007fd5c4683980>LPA(19:0/0:0) Mrv1652308091922442D 30 29 0 0 1 0 999 V2000 9.1943 -4.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 -3.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0277 -5.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8442 -4.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0193 -4.4722 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 -4.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -4.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -5.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 -3.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8092 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3308 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END 3D MOL for #<Metabolite:0x00007fd5c4683980>HMDB0114746 RDKit 3D LysoPA(19:0/0:0) 75 74 0 0 0 0 0 0 0 0999 V2000 -10.0823 -2.4467 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1133 -1.7936 1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3983 -0.6132 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4582 0.0077 1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 1.1573 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 1.2099 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9922 0.9613 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 1.0845 -2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 0.1113 -2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -0.0614 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 1.1742 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 0.9989 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 -0.0229 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 0.3116 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 1.5680 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 1.8967 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 1.0788 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.3227 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 -0.9038 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 -2.0954 0.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0613 -0.1403 0.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 -0.5187 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 -0.9417 1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 -2.0418 2.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3715 -1.2956 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -0.1671 1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6167 -0.3111 0.8457 P 0 0 0 0 0 5 0 0 0 0 0 0 12.3181 0.5974 1.8591 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0686 0.2641 -0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 -1.8802 1.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2223 -1.8607 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0447 -2.5826 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 -3.4693 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3156 -2.5120 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6382 -1.4456 2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2612 0.0994 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1001 -0.9707 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0312 0.2754 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8007 -0.8427 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2977 2.0855 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 1.4937 2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 2.3264 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 0.7216 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3863 -0.1233 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8762 1.6019 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 1.0979 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 2.1687 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -0.9201 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 0.3751 -3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 -0.6358 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -0.8290 -1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 1.9517 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 1.5972 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 0.7411 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 1.9898 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -0.1530 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -0.9951 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 0.3748 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -0.5592 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 2.4152 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 1.7088 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 2.1830 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 2.9295 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.6350 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 1.1157 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -1.0395 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 -0.3860 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9901 0.4057 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 -1.2663 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8734 -0.1090 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 -2.8894 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -2.1619 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7814 -1.5982 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0537 1.2637 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8323 -2.0730 0.3597 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 22 68 1 0 22 69 1 0 23 70 1 0 24 71 1 0 25 72 1 0 25 73 1 0 29 74 1 0 30 75 1 0 M END 3D SDF for #<Metabolite:0x00007fd5c4683980>LPA(19:0/0:0) Mrv1652308091922442D 30 29 0 0 1 0 999 V2000 9.1943 -4.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 -3.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0277 -5.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8442 -4.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0193 -4.4722 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 -4.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -4.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -5.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 -3.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8092 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 -4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3308 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > <DATABASE_ID> MMDBc0049053 > <DATABASE_NAME> MIME > <SMILES> CCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O > <INCHI_IDENTIFIER> InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27) > <INCHI_KEY> YAERNOYIELLICR-UHFFFAOYSA-N > <FORMULA> C22H45O7P > <MOLECULAR_WEIGHT> 452.569 > <EXACT_MASS> 452.290290787 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 75 > <JCHEM_AVERAGE_POLARIZABILITY> 53.65756645508192 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> [2-hydroxy-3-(nonadecanoyloxy)propoxy]phosphonic acid > <ALOGPS_LOGP> 5.42 > <JCHEM_LOGP> 6.292179843333333 > <ALOGPS_LOGS> -5.56 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 6.531115837556447 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.505317785248875 > <JCHEM_PKA_STRONGEST_BASIC> -3.4039997949880556 > <JCHEM_POLAR_SURFACE_AREA> 113.29000000000002 > <JCHEM_REFRACTIVITY> 118.78339999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 23 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.24e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> 2-hydroxy-3-(nonadecanoyloxy)propoxyphosphonic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for #<Metabolite:0x00007fd5c4683980>HMDB0114746 RDKit 3D LysoPA(19:0/0:0) 75 74 0 0 0 0 0 0 0 0999 V2000 -10.0823 -2.4467 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1133 -1.7936 1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3983 -0.6132 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4582 0.0077 1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 1.1573 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 1.2099 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9922 0.9613 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 1.0845 -2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 0.1113 -2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -0.0614 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 1.1742 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 0.9989 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 -0.0229 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 0.3116 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 1.5680 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 1.8967 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 1.0788 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.3227 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 -0.9038 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 -2.0954 0.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0613 -0.1403 0.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 -0.5187 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 -0.9417 1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 -2.0418 2.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3715 -1.2956 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -0.1671 1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6167 -0.3111 0.8457 P 0 0 0 0 0 5 0 0 0 0 0 0 12.3181 0.5974 1.8591 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0686 0.2641 -0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 -1.8802 1.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2223 -1.8607 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0447 -2.5826 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 -3.4693 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3156 -2.5120 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6382 -1.4456 2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2612 0.0994 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1001 -0.9707 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0312 0.2754 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8007 -0.8427 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2977 2.0855 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 1.4937 2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 2.3264 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 0.7216 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3863 -0.1233 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8762 1.6019 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 1.0979 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 2.1687 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -0.9201 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 0.3751 -3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 -0.6358 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -0.8290 -1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 1.9517 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 1.5972 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 0.7411 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 1.9898 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -0.1530 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -0.9951 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 0.3748 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -0.5592 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 2.4152 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 1.7088 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 2.1830 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 2.9295 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.6350 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 1.1157 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -1.0395 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 -0.3860 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9901 0.4057 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 -1.2663 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8734 -0.1090 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 -2.8894 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -2.1619 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7814 -1.5982 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0537 1.2637 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8323 -2.0730 0.3597 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 22 68 1 0 22 69 1 0 23 70 1 0 24 71 1 0 25 72 1 0 25 73 1 0 29 74 1 0 30 75 1 0 M END PDB for #<Metabolite:0x00007fd5c4683980>HEADER PROTEIN 09-AUG-19 NONE TITLE NULL COMPND MOLECULE: LPA(19:0/0:0) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 09-AUG-19 0 HETATM 1 O UNK 0 17.163 -8.364 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 18.687 -6.808 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 18.718 -9.888 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 20.243 -8.332 0.000 0.00 0.00 O+0 HETATM 5 P UNK 0 18.703 -8.348 0.000 0.00 0.00 P+0 HETATM 6 C UNK 0 15.645 -7.509 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 14.319 -8.293 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 12.977 -7.537 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 11.652 -8.321 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 14.336 -9.833 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 10.310 -7.566 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 10.310 -6.126 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 8.977 -8.337 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 7.644 -7.566 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.311 -8.337 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.978 -7.566 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.645 -8.337 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.312 -7.566 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.979 -8.337 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.354 -7.566 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.687 -8.337 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.020 -7.566 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.353 -8.337 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.686 -7.566 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.019 -8.337 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.352 -7.566 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.685 -8.337 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -11.018 -7.566 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -12.351 -8.337 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -13.684 -7.566 0.000 0.00 0.00 C+0 CONECT 1 6 5 CONECT 2 5 CONECT 3 5 CONECT 4 5 CONECT 5 1 2 3 4 CONECT 6 1 7 CONECT 7 6 8 10 CONECT 8 7 9 CONECT 9 8 11 CONECT 10 7 CONECT 11 9 12 13 CONECT 12 11 CONECT 13 11 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 MASTER 0 0 0 0 0 0 0 0 30 0 58 0 END 3D PDB for #<Metabolite:0x00007fd5c4683980>COMPND HMDB0114746 HETATM 1 C1 UNL 1 -10.082 -2.447 0.412 1.00 0.00 C HETATM 2 C2 UNL 1 -9.113 -1.794 1.346 1.00 0.00 C HETATM 3 C3 UNL 1 -8.398 -0.613 0.624 1.00 0.00 C HETATM 4 C4 UNL 1 -7.458 0.008 1.560 1.00 0.00 C HETATM 5 C5 UNL 1 -6.639 1.157 1.250 1.00 0.00 C HETATM 6 C6 UNL 1 -5.572 1.210 0.240 1.00 0.00 C HETATM 7 C7 UNL 1 -5.992 0.961 -1.140 1.00 0.00 C HETATM 8 C8 UNL 1 -4.985 1.084 -2.234 1.00 0.00 C HETATM 9 C9 UNL 1 -3.908 0.111 -2.270 1.00 0.00 C HETATM 10 C10 UNL 1 -2.928 -0.061 -1.174 1.00 0.00 C HETATM 11 C11 UNL 1 -2.170 1.174 -0.816 1.00 0.00 C HETATM 12 C12 UNL 1 -1.186 0.999 0.290 1.00 0.00 C HETATM 13 C13 UNL 1 -0.116 -0.023 -0.000 1.00 0.00 C HETATM 14 C14 UNL 1 0.701 0.312 -1.199 1.00 0.00 C HETATM 15 C15 UNL 1 1.442 1.568 -1.184 1.00 0.00 C HETATM 16 C16 UNL 1 2.435 1.897 -0.171 1.00 0.00 C HETATM 17 C17 UNL 1 3.641 1.079 0.029 1.00 0.00 C HETATM 18 C18 UNL 1 3.554 -0.323 0.436 1.00 0.00 C HETATM 19 C19 UNL 1 4.950 -0.904 0.579 1.00 0.00 C HETATM 20 O1 UNL 1 5.079 -2.095 0.913 1.00 0.00 O HETATM 21 O2 UNL 1 6.061 -0.140 0.348 1.00 0.00 O HETATM 22 C20 UNL 1 7.405 -0.519 0.441 1.00 0.00 C HETATM 23 C21 UNL 1 7.885 -0.942 1.783 1.00 0.00 C HETATM 24 O3 UNL 1 7.225 -2.042 2.292 1.00 0.00 O HETATM 25 C22 UNL 1 9.372 -1.296 1.620 1.00 0.00 C HETATM 26 O4 UNL 1 9.975 -0.167 1.111 1.00 0.00 O HETATM 27 P1 UNL 1 11.617 -0.311 0.846 1.00 0.00 P HETATM 28 O5 UNL 1 12.318 0.597 1.859 1.00 0.00 O HETATM 29 O6 UNL 1 12.069 0.264 -0.683 1.00 0.00 O HETATM 30 O7 UNL 1 12.194 -1.880 1.113 1.00 0.00 O HETATM 31 H1 UNL 1 -10.222 -1.861 -0.519 1.00 0.00 H HETATM 32 H2 UNL 1 -11.045 -2.583 0.904 1.00 0.00 H HETATM 33 H3 UNL 1 -9.727 -3.469 0.116 1.00 0.00 H HETATM 34 H4 UNL 1 -8.316 -2.512 1.623 1.00 0.00 H HETATM 35 H5 UNL 1 -9.638 -1.446 2.234 1.00 0.00 H HETATM 36 H6 UNL 1 -9.261 0.099 0.441 1.00 0.00 H HETATM 37 H7 UNL 1 -8.100 -0.971 -0.336 1.00 0.00 H HETATM 38 H8 UNL 1 -8.031 0.275 2.530 1.00 0.00 H HETATM 39 H9 UNL 1 -6.801 -0.843 1.978 1.00 0.00 H HETATM 40 H10 UNL 1 -7.298 2.086 1.058 1.00 0.00 H HETATM 41 H11 UNL 1 -6.166 1.494 2.256 1.00 0.00 H HETATM 42 H12 UNL 1 -5.228 2.326 0.245 1.00 0.00 H HETATM 43 H13 UNL 1 -4.634 0.722 0.585 1.00 0.00 H HETATM 44 H14 UNL 1 -6.386 -0.123 -1.199 1.00 0.00 H HETATM 45 H15 UNL 1 -6.876 1.602 -1.446 1.00 0.00 H HETATM 46 H16 UNL 1 -5.546 1.098 -3.245 1.00 0.00 H HETATM 47 H17 UNL 1 -4.586 2.169 -2.215 1.00 0.00 H HETATM 48 H18 UNL 1 -4.274 -0.920 -2.601 1.00 0.00 H HETATM 49 H19 UNL 1 -3.256 0.375 -3.194 1.00 0.00 H HETATM 50 H20 UNL 1 -3.336 -0.636 -0.347 1.00 0.00 H HETATM 51 H21 UNL 1 -2.173 -0.829 -1.623 1.00 0.00 H HETATM 52 H22 UNL 1 -2.896 1.952 -0.510 1.00 0.00 H HETATM 53 H23 UNL 1 -1.691 1.597 -1.748 1.00 0.00 H HETATM 54 H24 UNL 1 -1.714 0.741 1.212 1.00 0.00 H HETATM 55 H25 UNL 1 -0.703 1.990 0.468 1.00 0.00 H HETATM 56 H26 UNL 1 0.471 -0.153 0.932 1.00 0.00 H HETATM 57 H27 UNL 1 -0.632 -0.995 -0.152 1.00 0.00 H HETATM 58 H28 UNL 1 -0.088 0.375 -2.042 1.00 0.00 H HETATM 59 H29 UNL 1 1.284 -0.559 -1.529 1.00 0.00 H HETATM 60 H30 UNL 1 0.677 2.415 -1.234 1.00 0.00 H HETATM 61 H31 UNL 1 1.945 1.709 -2.200 1.00 0.00 H HETATM 62 H32 UNL 1 1.968 2.183 0.839 1.00 0.00 H HETATM 63 H33 UNL 1 2.853 2.930 -0.454 1.00 0.00 H HETATM 64 H34 UNL 1 4.274 1.635 0.798 1.00 0.00 H HETATM 65 H35 UNL 1 4.332 1.116 -0.878 1.00 0.00 H HETATM 66 H36 UNL 1 3.007 -1.039 -0.143 1.00 0.00 H HETATM 67 H37 UNL 1 3.147 -0.386 1.489 1.00 0.00 H HETATM 68 H38 UNL 1 7.990 0.406 0.142 1.00 0.00 H HETATM 69 H39 UNL 1 7.680 -1.266 -0.342 1.00 0.00 H HETATM 70 H40 UNL 1 7.873 -0.109 2.519 1.00 0.00 H HETATM 71 H41 UNL 1 7.677 -2.889 2.093 1.00 0.00 H HETATM 72 H42 UNL 1 9.406 -2.162 0.927 1.00 0.00 H HETATM 73 H43 UNL 1 9.781 -1.598 2.604 1.00 0.00 H HETATM 74 H44 UNL 1 12.054 1.264 -0.620 1.00 0.00 H HETATM 75 H45 UNL 1 12.832 -2.073 0.360 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 34 35 CONECT 3 4 36 37 CONECT 4 5 38 39 CONECT 5 6 40 41 CONECT 6 7 42 43 CONECT 7 8 44 45 CONECT 8 9 46 47 CONECT 9 10 48 49 CONECT 10 11 50 51 CONECT 11 12 52 53 CONECT 12 13 54 55 CONECT 13 14 56 57 CONECT 14 15 58 59 CONECT 15 16 60 61 CONECT 16 17 62 63 CONECT 17 18 64 65 CONECT 18 19 66 67 CONECT 19 20 20 21 CONECT 21 22 CONECT 22 23 68 69 CONECT 23 24 25 70 CONECT 24 71 CONECT 25 26 72 73 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 74 CONECT 30 75 END INCHI for #<Metabolite:0x00007fd5c4683980>InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27) 3D Structure for #<Metabolite:0x00007fd5c4683980> | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Formula | C22H45O7P | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 452.569 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 452.290290787 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | [2-hydroxy-3-(nonadecanoyloxy)propoxy]phosphonic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 2-hydroxy-3-(nonadecanoyloxy)propoxyphosphonic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | YAERNOYIELLICR-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as 1-acylglycerol-3-phosphates. These are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Glycerophospholipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Glycerophosphates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | 1-acylglycerol-3-phosphates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Substituents |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Framework | Aliphatic acyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Functional Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Expected Solid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cellular Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biospecimen Locations |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated OMIM IDs | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Human Proteins and Enzymes | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Human Pathways | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Pathways |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolic Reactions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reactions
Showing 1 to 1 of 1 entries | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Health Effects and Bioactivity | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Microbial Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Exposure Sources | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Host Biospecimen and Location | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0114746 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FooDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 15921315 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 17786765 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|