No | HMDB No | Accurate mass | Theoretical mass | Compound Name | Chemical formula | Pathway |
---|---|---|---|---|---|---|
1 | HMDB01859 | 151.0626 | 151.0633 | Acetaminophen | C8H9NO2 | Acetaminophen metabolism |
2 | HMDB04987 | 261.1206 | 261.1325 | Alpha-Aspartyl-lysine | C10H19N3O5 | Amino acid metabolism |
3 | HMDB03423/HMDB00641 | 146.0687 | 146.0691 | D-Glutamine/L-Glutamine | C5H10N2O3 | Amino acid metabolism |
4 | HMDB00714 | 179.0576 | 179.0582 | Hippuric acid | C9H9NO3 | Amino acid metabolism |
5 | HMDB00161/HMDB01310/ HMDB00271 | 89.0465 | 89.0477 | L-Alanine/D-Alanine/Sarcosine | C3H7NO2 | Amino acid metabolism |
6 | HMDB00641/HMDB03423 | 146.0687 | 146.0691 | L-Glutamine/ D-Glutamine | C5H10N2O3 | Amino acid metabolism |
7 | HMDB00687/HMDB00557/HMDB00172/HMDB01645 | 131.0941 | 131.0946 | L-Leucine/L-Alloisoleucine/ L-Isoleucine/L-Norleucine | C6H13NO2 | Amino acid metabolism |
8 | HMDB00696 | 149.0504 | 149.0510 | L-Methionine | C5H11NO2S | Amino acid metabolism |
9 | HMDB00162 | 115.0629 | 115.0633 | L-Proline | C5H9NO2 | Amino acid metabolism |
10 | HMDB00883/HMDB00043 | 117.0784 | 117.0790 | L-Valine/Betaine | C5H11NO2 | Amino acid metabolism |
11 | HMDB00064/HMDB00766 | 131.0688 | 131.0695 | Creatine/ N-Acetyl-L-alanine | C4H9N3O2 | Arginine, proline, glycine and serine metabolism |
12 | HMDB00043/HMDB02141 | 117.0786 | 117.0790 | Betaine/ N-Methyl-a-aminoisobutyric acid | C5H11NO2 | Betaine Metabolism |
13 | HMDB01847 | 194.0796 | 194.0804 | Caffeine | C8H10N4O2 | Caffeine metabolism |
14 | HMDB01860 | 180.0642 | 180.0647 | Paraxanthine | C7H8N4O2 | Caffeine metabolism |
15 | HMDB02825 | 180.0638 | 180.0647 | Theobromine | C7H8N4O2 | Caffeine metabolism |
16 | HMDB00062 | 161.1048 | 161.1052 | L-Carnitine | C7H15NO3 | Fatty acid metabolism |
17 | HMDB00267/HMDB00805 | 129.0419 | 129.0426 | Pyroglutamic acid/ Pyrrolidonecarboxylic acid | C5H7NO3 | Glutathione metabolism |
18 | HMDB00017 | 183.0528 | 183.0532 | 4-Pyridoxic acid | C8H9NO4 | Vitamin B6 metabolism |
19 | HMDB00995 | 312.2087 | 312.2089 | 16-Dehydroprogesterone | C21H28O2 | Lipid metabolism |
20 | HMDB00502 | 388.2485 | 406.2719 | 3-Oxocholic acid | C24H38O5 | Lipid metabolism |
21 | HMDB00308 | 356.2708 | 374.2821 | 3b-Hydroxy-5-cholenoic acid | C5H4N4O3 | Lipid metabolism |
22 | HMDB00501 | 400.3339 | 400.3341 | 7-Ketocholesterol | C27H44O2 | Lipid metabolism |
23 | HMDB00503 | 372.2659 | 390.2770 | 7a-Hydroxy-3-oxo-5b-cholanoic acid | C24H38O4 | Lipid metabolism |
24 | HMDB00784 | 188.1041 | 188.1049 | Azelaic acid | C9H16O4 | Lipid metabolism |
25 | HMDB00015/HMDB01547 | 346.2131 | 346.2144 | Cortexolone/Corticosterone | C21H30O4 | Lipid metabolism |
26 | HMDB01547 | 346.2142 | 346.2144 | Corticosterone | C21H30O4 | Lipid metabolism |
27 | HMDB00063 | 362.2093 | 362.2093 | Cortisol | C21H30O5 | Lipid metabolism |
28 | HMDB00631 | 449.3131 | 449.3141 | Deoxycholic acid glycine conjugate | C26H43NO5 | Lipid metabolism |
29 | HMDB00573/HMDB03231 | 282.2564 | 282.2559 | Elaidic acid/Vaccenic acid | C18H34O2 | Lipid metabolism |
30 | HMDB00628/HMDB00234 | 288.2078 | 288.2089 | Epitestosterone/Testosterone | C19H28O2 | Lipid metabolism |
31 | HMDB00086 | 257.1026 | 257.1028 | Glycerophosphocholine | C8H20NO6P | Lipid metabolism |
32 | HMDB00138 | 465.3096 | 465.3090 | Glycocholic acid | C26H43NO6 | Lipid metabolism |
33 | HMDB02259 | 270.2557 | 270.2559 | Heptadecanoic acid | C17H34O2 | Lipid metabolism |
34 | HMDB00666 | 130.0989 | 130.0994 | Heptanoic acid | C7H14O2 | Lipid metabolism |
35 | HMDB00689 | 116.0833 | 116.0837 | Isocaproic acid | C6H12O2 | Lipid metabolism |
36 | HMDB00673 | 280.2397 | 280.2402 | Linoleic acid | C18H32O2 | Lipid metabolism |
37 | HMDB00806 | 228.2088 | 228.2089 | Myristic acid | C14H28O2 | Lipid metabolism |
38 | HMDB00593 | 785.5943 | 785.5935 | PC(18:1/18:1) | C44H84NO8P | Lipid metabolism |
39 | HMDB00847 | 158.1300 | 158.1307 | Pelargonic acid | C9H18O2 | Lipid metabolism |
40 | HMDB00253 | 316.2395 | 316.2402 | Pregnenolone | C21H32O2 | Lipid metabolism |
41 | HMDB01830 | 314.2239 | 314.2246 | Progesterone | C21H30O2 | Lipid metabolism |
42 | HMDB00792 | 202.1194 | 202.1205 | Sebacic acid | C10H18O4 | Lipid metabolism |
43 | HMDB00933 | 228.1335 | 228.1362 | Traumatic acid | C12H20O4 | Lipid metabolism |
44 | HMDB03231 | 282.2551 | 282.2559 | Vaccenic acid | C18H34O2 | Lipid metabolism |
45 | HMDB01877 | 144.1146 | 144.1150 | Valproic acid | C8H16O2 | Lipid metabolism |
46 | HMDB00876 | 384.3387 | 384.3392 | Vitamin D3 | C27H44O | Lipid metabolism |
47 | HMDB00182/HMDB03405 | 146.1048 | 146.1055 | L-lysine/D-lysine | C6H14N2O2 | Lysinuric protein intolerance |
48 | HMDB01923 | 230.0937 | 230.0943 | Naproxen | C14H14O3 | Naproxen action pathway |
49 | HMDB06344 | 264.1103 | 264.1110 | Alpha-N-phenylacetyl-L-glutamine | C13H16N2O4 | Phenylacetate Metabolism |
50 | HMDB00159 | 165.0784 | 165.1891 | L-Phenylalanine | C9H11NO2 | Phenylalanine metabolism |
51 | HMDB00097 | 103.0994 | 104.1075 | Choline | C5H14NO | Phosphatidylcholine biosynthesis |
52 | HMDB00157 | 136.0380 | 136.0385 | Hypoxanthine | C5H4N4O | Purine metabolism |
53 | HMDB00289 | 168.0278 | 168.0283 | Uric acid | C5H4N4O3 | Purine metabolism |
54 | HMDB00926 | 79.0421 | 79.0422 | Pyridine | C5H5N | Pyridine biosynthesis |
55 | HMDB00975/HMDB00055 | 324.1052 | 342.1162 | Trehalose/Cellobiose | C12H22O11 | Pyrimidine metabolism |
56 | HMDB00300 | 112.0266 | 112.0273 | Uracil | C4H4N2O2 | Pyrimidine metabolism |
57 | HMDB00190/HMDB01311 | 90.0311 | 90.0317 | L-Lactic acid/D-Lactic acid | C3H6O3 | Pyruvate metabolism |
58 | HMDB00252 | 299.2818 | 299.2824 | Sphingosine | C18H37NO2 | Sphingolipid Metabolism |
59 | HMDB00374/HMDB00016/HMDB00920 | 330.2178 | 330.2195 | 17-Hydroxyprogesterone/ Deoxycorticosterone/11a-Hydroxyprogesterone | C21H30O3 | Steroid biosynthesis |
60 | HMDB00929 | 204.0894 | 204.0899 | L-Tryptophan | C11H12N2O2 | Tryptophan metabolism |
61 | HMDB00197 | 175.0627 | 175.0633 | Indoleacetic acid | C10H9NO2 | Tryptophan metabolism |
62 | HMDB00183 | 208.0843 | 208.0848 | L-Kynurenine | C10H12N2O3 | Tryptophan metabolism |
63 | HMDB00158/HMDB06050 | 181.0735 | 181.0739 | L-Tyrosine/o-Tyrosine | C9H11NO3 | Tyrosine metabolism |
64 | HMDB02302 | 189.0782 | 189.0790 | 3-Indolepropionic acid | HMDB02302 | Tryptophan deamination |
65 | HMDB01924 | 266.1620 | 266.1630 | Atenolol | C14H22N2O3 | Beta1-receptor inhibition |
66 | HMDB06115 | 106.0416 | 106.0419 | Benzaldehyde | C7H6O | Oxidoreductase activity |
67 | HMDB00562 | 113.0586 | 113.0589 | Creatinine | C4H7N3O | Arginine, proline, glycine and serine Metabolism/creatine catabolism |
68 | HMDB00453 | 114.0670 | 114.0681 | Delta-hexanolactone | C6H10O2 | Hydroxy acid lactonization |
69 | HMDB04983 | 94.0084 | 94.0089 | Dimethyl sulfone | C2H6O2S | Methanethiol metabolism |
70 | HMDB01888 | 73.0524 | 73.0528 | N,N-Dimethylformamide | C3H7NO | Tertiary carboxylic acid metabolism |
71 | HMDB00070 | 129.0785 | 129.0790 | Pipecolic acid | C6H11NO2 | Amino acid metabolism |