HMDB ID | Metabolite | Formula | tR/min | Ionic Form | Mass Discrepancy | p | VIP | Trend | KEGG |
---|---|---|---|---|---|---|---|---|---|
HMDB0012452 | All-trans-18-Hydroxyretinoic acid | C20H28O3 | 15.86 | [M+H]+ | 0.0007 | 0.0000 | 1.41 | Up | Retinol metabolism |
HMDB0001343 | Mevalonic acid-5P | C6H13O7P | 7.73 | [M+H2O+H]+ | 0.0002 | 0.0014 | 1.45 | Up | Terpenoid backbone biosynthesis |
HMDB0000291 | Vanillylmandelic acid | C9H10O5 | 1.55 | [M+C3H4O2+H]+ | 0.0001 | 0.0012 | 1.40 | Down | Tyrosine metabolism |
HMDB0060651 | 2-Hydroxycarbamazepine | C15H12N2O2 | 5.37 | [M+CO2+H]+ | 0.0000 | 0.0001 | 1.42 | Up | Drug metabolism—cytochrome P450 |
HMDB0000870 | Histamine | C5H9N3 | 0.77 | [M+H]+ | 0.0004 | 0.0000 | 1.42 | Up | Histidine metabolism |
HMDB0029751 | Naphthalene | C10H8 | 7.56 | [M]+ | 0.0002 | 0.0000 | 1.59 | Down | Metabolism of xenobiotics by cytochrome P450 |
HMDB0000014 | Deoxycytidine | C9H13N3O4 | 2.36 | [M(C13)+2H]2+ | 0.0003 | 0.0000 | 1.22 | Down | Pyrimidine metabolism |
HMDB0000214 | Ornithine | C5H12N2O2 | 0.92 | [M+NH3+H]+ | 0.0002 | 0.0000 | 1.26 | Down | Arginine biosynthesis; arginine and proline metabolism; glutathione metabolism |
HMDB0000159 | l-Phenylalanine | C9H11NO2 | 1.50 | [M−HCOOH+H]+ | 0.0001 | 0.0037 | 1.31 | Down | Phenylalanine metabolism; aminoacyl-tRNA biosynthesis |
HMDB0000904 | Citrulline | C6H13N3O3 | 0.91 | [M−HCOOH+H]+ | 0.0000 | 0.0000 | 1.23 | Down | Arginine biosynthesis |
HMDB0000034 | Adenine | C5H5N5 | 0.95 | [M+H]+ | 0.0001 | 0.0003 | 1.39 | Down | Purine metabolism |
HMDB0000510 | Aminoadipic acid | C6H11NO4 | 1.47 | [M−H2O+H]+ | 0.0002 | 0.0122 | 1.37 | Down | Lysine degradation |
HMDB0242149 | Xylitol | C5H12O5 | 0.91 | [M]+ | 0.0004 | 0.0395 | 1.38 | Down | Pentose and glucuronate interconversions |
HMDB0000517 | l-Arginine | C6H14N4O2 | 0.89 | [M−NH3+H]+ | 0.0000 | 0.0000 | 1.23 | Down | Arginine biosynthesis; Arginine and proline metabolism; Aminoacyl-tRNA biosynthesis |
HMDB0001123 | 2-Aminobenzoic acid | C7H7NO2 | 0.87 | [M+Na]+ | 0.0006 | 0.0016 | 1.25 | Down | Tryptophan metabolism |
HMDB0060389 | 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one | C10H11NO3 | 6.29 | [M-NH3+H]+ | 0.0001 | 0.0002 | 1.21 | down | Drug metabolism—cytochrome P450 |
HMDB0000175 | Inosinic acid | C10H13N4O8P | 3.67 | [M+H+Na]2+ | 0.0000 | 0.0011 | 1.30 | Up | Purine metabolism |
HMDB0004224 | N(omega)-hydroxyarginine | C6H14N4O3 | 0.80 | [M+H]+ | 0.0004 | 0.0452 | 1.21 | Up | Arginine and proline metabolism |
HMDB0000763 | 5-Hydroxyindoleacetic acid | C10H9NO3 | 5.08 | [M+H]+ | 0.0001 | 0.0000 | 1.23 | Down | Tryptophan metabolism |
HMDB0000245 | Porphobilinogen | C10H14N2O4 | 0.93 | [M+H2O+H]+ | 0.0002 | 0.0002 | 1.30 | Down | Porphyrin and chlorophyll metabolism |
HMDB0000050 | Adenosine | C10H13N5O4 | 1.17 | [M+H]+ | 0.0000 | 0.0000 | 1.34 | Up | Purine metabolism |
HMDB0001049 | gamma-Glutamylcysteine | C8H14N2O5S | 7.55 | [M+H2O+H]+ | 0.0006 | 0.0001 | 1.23 | Down | Glutathione metabolism |
HMDB0000235 | Thiamine | C12H17N4OS | 1.27 | [M+Na]+ | 0.0001 | 0.0004 | 1.23 | Up | Thiamine metabolism |
HMDB0001517 | AICAR | C9H15N4O8P | 0.92 | [M−HCOOH+H]+ | 0.0014 | 0.0001 | 1.26 | Down | Purine metabolism |
HMDB0001198 | Leukotriene C4 | C30H47N3O9S | 2.01 | [M(C13)+2H]2+ | 0.0008 | 0.0000 | 1.22 | Down | Arachidonic acid metabolism |
HMDB0000163 | d-Maltose | C12H22O11 | 0.92 | [M+Na]+ | 0.0000 | 0.0000 | 1.24 | Down | Starch and sucrose metabolism; Starch and sucrose metabolism |
HMDB0000961 | Farnesyl pyrophosphate | C15H28O7P2 | 9.82 | [M+H2O+H]+ | 0.0001 | 0.0000 | 1.20 | Down | Terpenoid backbone biosynthesis; Steroid biosynthesis |
HMDB0001993 | 7a-Hydroxy-cholestene-3-one | C27H44O2 | 18.72 | [M+H]+ | 0.0002 | 0.0026 | 1.37 | Down | Primary bile acid biosynthesis |
HMDB0002103 | 27-Hydroxycholesterol | C27H46O2 | 15.19 | [M+HCOONa]+ | 0.0019 | 0.0000 | 1.20 | Down | Primary bile acid biosynthesis |