Available Polar Metabolite Standards
The Metabolomic Platform at the PRC have a library of 200+ polar metabolites (2026) which are listed below together with respective KEGG and HMDB identifications codes. Molecules marked with ^ are avaiable as an 13C standard while * indicates that a deuterium standard is available. Listed retention times (RT) are based on the Centers standard HILIC method used to analysis polar metabolites.
| Name | Precursor Formula | RT [min] | from website | KEGG |
| thiodiphenol | C12H10O2S | 0.8 | n/a | n/a |
| alpha-lipoic-acid | C8H14O2S2 | 1.0 | HMDB0251530 | C00725 |
| N-acetylphenylalanine | C11H13NO3 | 1.2 | HMDB0000512 | C03519 |
| 5-deoxy-5-(methylthio)adenosine | C11H15N5O3S | 1.3 | HMDB0001173 | C00170 |
| nicotinamide | C6H6N2O | 1.3 | HMDB0001406 | C00153 |
| thymine* | C5H6N2O2 | 1.3 | HMDB0000262 | C00178 |
| thymidine | C10H14N2O5 | 1.4 | HMDB0000273 | C00214 |
| Hexanoylcarnitine | C13H25NO4 | 1.5 | HMDB0000756 | n/a |
| vitamin-B6 | C8H11NO3 | 1.5 | HMDB0000239 | C00314 |
| uracil* | C4H4N2O2 | 1.7 | HMDB0000300 | C00106 |
| 2-deoxyadenosine | C10H13N5O3 | 1.8 | HMDB0000101 | C00559 |
| 2-deoxyuridine | C9H12N2O5 | 1.8 | HMDB0000012 | C00526 |
| 2-methylbutyrylcarnitine1 | C12H23NO4 | 2.0 | HMDB0000378 | n/a |
| Isovalerylcarnitine11 | C12H23NO4 | 2.0 | HMDB0000688 | C20826 |
| 2-deoxyribose | C5H10O4 | 2.2 | HMDB0003224 | C01801 |
| N-acetylmethionine | C7H13NO3S | 2.2 | HMDB0011745 | C02712 |
| adenine | C5H5N5 | 2.3 | HMDB0000034 | C00147 |
| adenosine | C10H13N5O4 | 2.3 | HMDB0000050 | C00212 |
| creatinine* | C4H7N3O | 2.3 | HMDB0000562 | C00791 |
| riboflavin | C17H20N4O6 | 2.3 | HMDB0000244 | C00255 |
| butyrylcarnitine1 | C11H21NO4 | 2.4 | HMDB0002013 | C02862 |
| isobutyrylcarnitine1 | C11H21NO4 | 2.5 | HMDB0000736 | n/a |
| kynurenic-acid | C10H7NO3 | 2.5 | HMDB0000715 | C01717 |
| crotonic-acid | C4H6O2 | 2.6 | HMDB0010720 | C01771 |
| phenylacetyl-glutamine | C13H16N2O4 | 2.7 | HMDB0006344 | C04148 |
| uridine | C9H12N2O6 | 2.7 | HMDB0000296 | C00299 |
| 2-deoxyinosine | C10H12N4O4 | 2.8 | HMDB0000071 | C05512 |
| 2-hydroxybutyrate | C4H8O3 | 2.8 | HMDB0000008 | C05984 |
| N-acetylcysteine | C5H9NO3S | 2.8 | HMDB0001890 | C06809 |
| propionylcarnitine | C10H19NO4 | 2.8 | HMDB0000824 | C03017 |
| hypoxanthine | C5H4N4O | 2.9 | HMDB0000157 | C00262 |
| niacin | C6H5NO2 | 2.9 | HMDB0001488 | C00253 |
| pyruvate* | C3H4O3 | 2.9 | HMDB0000243 | C00022 |
| acetoacetate | C4H6O3 | 3.1 | HMDB0000060 | C00164 |
| ribose* | C5H10O5 | 3.1 | HMDB0000283 | C00121 |
| 2-deoxycytidine | C9H13N3O4 | 3.2 | HMDB0000014 | C00881 |
| cytosine | C4H5N3O | 3.2 | HMDB0000630 | C00380 |
| betaine | C5H11NO2 | 3.3 | HMDB0000043 | C00719 |
| lactate | C3H6O3 | 3.3 | HMDB0000190 | C00186 |
| acetylcarnitine | C9H17NO4 | 3.4 | HMDB0000201 | C02571 |
| 3-hydroxybutyrate | C4H8O3 | 3.5 | HMDB0000011 | C01089 |
| phenylalanine^ | C9H11NO2 | 3.5 | HMDB0000159 | C00079 |
| pantothenate | C9H17NO5 | 3.6 | HMDB0000210 | C00864 |
| 4-aminobenzoic-acid | C7H7NO2 | 3.7 | HMDB0001392 | C00568 |
| inosine | C10H12N4O5 | 3.7 | HMDB0000195 | C00294 |
| leucine^ | C6H13NO2 | 3.7 | HMDB0000687 | C00123 |
| 2-deoxyguanosine | C10H13N5O4 | 3.8 | HMDB0000085 | C00330 |
| kynurenine | C10H12N2O3 | 3.8 | HMDB0000684 | C00328 |
| biotin | C10H16N2O3S | 3.9 | HMDB0000030 | C00120 |
| cytidine | C9H13N3O5 | 3.9 | HMDB0000089 | C00475 |
| isoleucine^ | C6H13NO2 | 3.9 | HMDB0000172 | C00407 |
| N-acetyl-D-glucosamine | C8H15NO6 | 3.9 | HMDB0000215 | C00140 |
| guanine | C5H5N5O | 4.1 | HMDB0000132 | C00242 |
| methionine^ | C5H11NO2S | 4.1 | HMDB0000696 | C00073 |
| pseudouridine | C9H12N2O6 | 4.1 | HMDB0000767 | C02067 |
| tryptophan | C11H12N2O2 | 4.2 | HMDB0000929 | C00078 |
| orotic-acid | C5H4N2O4 | 4.3 | HMDB0000226 | C00295 |
| pipecolic-acid | C6H11NO2 | 4.3 | HMDB0000070 | C00408 |
| S-methylcysteine | C4H9NO2S | 4.3 | HMDB0302211 | C22040 |
| proline^ | C5H9NO2 | 4.4 | HMDB0000162 | C00148 |
| valine^ | C5H11NO2 | 4.4 | HMDB0000883 | C00183 |
| xanthine | C5H4N4O2 | 4.4 | HMDB0000292 | C00385 |
| cAMP | C10H12N5O6P | 4.5 | HMDB0000058 | C00575 |
| allantoin | C4H6N4O3 | 4.6 | HMDB0000462 | C02350 |
| guanosine | C10H13N5O5 | 4.6 | HMDB0000133 | C00387 |
| O-acetyl-DL-serine | C5H9NO4 | 4.6 | HMDB0003011 | C00979 |
| choline | C5H13NO | 4.7 | HMDB0000097 | C00114 |
| cysteine | C3H7NO2S | 4.7 | HMDB0000574 | C00097 |
| N-acetylserine | C5H9NO4 | 4.7 | HMDB0002931 | n/a |
| N-acetylglutamine | C7H12N2O4 | 4.8 | HMDB0006029 | n/a |
| carnitine | C7H15NO3 | 4.9 | HMDB0000062 | C00487 |
| dihydroorotate | C5H6N2O4 | 4.9 | HMDB0000528 | C00337 |
| thiamine | C12H16N4OS | 4.9 | HMDB0000235 | C00378 |
| mannose | C4H6O5 | 5.0 | HMDB0000169 | C00159 |
| N6-acetyllysine | C8H16N2O3 | 5.0 | HMDB0000206 | C02727 |
| glyceric-acid | C3H6O4 | 5.1 | HMDB0000139 | C00258 |
| tyrosine^ | C9H11NO3 | 5.1 | HMDB0000158 | C00082 |
| sarcosine | C3H7NO2 | 5.3 | HMDB0000271 | C00213 |
| 3-aminoisobutyric-acid | C4H9NO2 | 5.4 | HMDB0003911 | C05145 |
| 3-ureidopropionate | C4H8N2O3 | 5.5 | HMDB0000026 | C02642 |
| methionine-sulfoxide | C5H11NO3S | 5.5 | HMDB0002005 | C02989 |
| 5-hydroxyindole-3-acetate | C10H9NO3 | 5.6 | HMDB0000763 | C05635 |
| Acetylputrescine | C6H14N2O | 5.6 | HMDB0002064 | C02714 |
| xanthosine | C10H12N4O6 | 5.6 | HMDB0000299 | C01762 |
| threonine^ | C4H9NO3 | 5.7 | HMDB0000167 | C00188 |
| alanine^ | C3H7NO2 | 5.8 | HMDB0000161 | C00041 |
| creatine | C4H9N3O2 | 5.8 | HMDB0000064 | C00300 |
| hydroxyproline* | C5H9NO3 | 5.8 | HMDB0000725 | C01157 |
| S-adenosylhomocysteine | C14H20N6O5S | 5.8 | HMDB0000939 | C00021 |
| uric-acid | C5H4N4O3 | 5.8 | HMDB0000289 | C00366 |
| anserine | C10H16N4O3 | 5.9 | HMDB0000194 | C01262 |
| taurine* | C2H7NO3S | 5.9 | HMDB0000251 | C00245 |
| 1-methylnicotinamide | C7H9N2O | 6.0 | HMDB0000699 | C02918 |
| FMN – Flavin Mononucleotide | C17H21N4O9P | 6.0 | HMDB0001520 | C00061 |
| glucose | C6H12O6 | 6.0 | HMDB0000122 | C00031 |
| histidine^ | C6H9N3O2 | 6.0 | HMDB0000177 | C00135 |
| hypotaurine | C2H7NO2S | 6.0 | HMDB0000965 | C00519 |
| 3-Nitrotyrosine | C9H10N2O5 | 6.1 | HMDB0001904 | n/a |
| beta-alanine | C3H7NO2 | 6.2 | HMDB0000056 | C00099 |
| flavin-adenine-dinucleotide | C27H33P2N9O15 | 6.2 | HMDB0001248 | C00016 |
| glutamine* | C5H10N2O3 | 6.3 | HMDB0000641 | C00064 |
| Succinylcarnitine | C11H19NO6 | 6.3 | HMDB0061717 | n/a |
| asparagine | C4H8N2O3 | 6.4 | HMDB0000168 | C00152 |
| gamma-aminobutyric-acid | C4H9NO2 | 6.4 | HMDB0000112 | C00334 |
| glycine^ | C2H5NO2 | 6.4 | HMDB0000123 | C00037 |
| guanidinoacetate | C3H7N3O2 | 6.4 | HMDB0000128 | C00581 |
| N-acetylornithine | C7H14N2O3 | 6.4 | HMDB0003357 | C00437 |
| serine^ | C3H7NO3 | 6.5 | HMDB0000187 | C00065 |
| dTMP | C10H15N2O8P | 6.6 | HMDB0001227 | C00364 |
| dAMP | C10H14N5O6P | 6.7 | HMDB0000905 | C00360 |
| carnosine | C9H14N4O3 | 6.8 | HMDB0000033 | C00386 |
| citrulline* | C6H13N3O3 | 6.8 | HMDB0000904 | C00327 |
| acetyl-CoA | C23H38N7O17P3S | 6.9 | HMDB0001206 | C00024 |
| cysteinesulfinic-acid | C3H7NO4S | 7.1 | HMDB0000996 | C00606 |
| myo-inositol | C6H12O6 | 7.1 | HMDB0000211 | C00137 |
| NADH | C21H29N7O14P2 | 7.1 | HMDB0001487 | C00004 |
| AMP | C10H14N5O7P | 7.2 | HMDB0000045 | C00020 |
| glutamate^ | C5H9NO4 | 7.2 | HMDB0000148 | C00025 |
| glutathione-reduced | C10H17N3O6S | 7.2 | HMDB0000125 | C00051 |
| N-acetylglutamate | C7H11NO5 | 7.2 | HMDB0001138 | C00624 |
| NAD | C21H27N7O14P2 | 7.2 | HMDB0000902 | C00003 |
| S-adenosylmethionine | C15H22N6O5S | 7.2 | HMDB0001185 | C00019 |
| phosphocholine* | C5H14NO4P | 7.3 | HMDB0001565 | C00588 |
| 2-aminoadipic-acid | C6H11NO4 | 7.4 | HMDB0000510 | C00956 |
| 2-deoxyribose-1-phosphate2 | C5H11O7P | 7.4 | HMDB0001351 | C00672 |
| 2-deoxyribose-5-phosphate2 | C5H11O7P | 7.4 | HMDB0001031 | C00673 |
| 2-oxoadipic-acid | C6H8O5 | 7.4 | HMDB0000225 | C00322 |
| aspartate^ | C4H7NO4 | 7.4 | HMDB0000191 | C00049 |
| homocysteine | C4H9NO2S | 7.4 | HMDB0000742 | C00155 |
| methylmalonate | C4H6O4 | 7.4 | HMDB0000202 | C02170 |
| itaconic-acid | C5H6O4 | 7.5 | HMDB0002092 | C00490 |
| PLP | C8H10NO6P | 7.5 | HMDB0001491 | C00018 |
| coenzyme-A | C21H36N7O16P3S | 7.6 | HMDB0001423 | C00010 |
| erythrose-4-phosphate | C4H9O7P | 7.6 | HMDB0001321 | C00279 |
| N1-, N12-Diacetylspermine | C14H30N4O2 | 7.6 | HMDB0002172 | C03413 |
| N3-N4-dimethylarginine | C8H18N4O2 | 7.6 | HMDB0001539 | C03626 |
| Thiamine-Pyrophosphate | C12H18N4O7P2S | 7.6 | HMDB0001372 | C00068 |
| D-Glucuronic-Acid | C6H10O7 | 7.7 | HMDB0000127 | C00191 |
| dADP | C10H15N5O9P2 | 7.7 | HMDB0001508 | C00206 |
| glycerol-3-phosphate | C3H9O6P | 7.8 | HMDB0000126 | C00093 |
| 2-hydroxyglutarate* | C5H8O5 | 7.9 | HMDB0059655 | C02630 |
| ADP-ribose | C15H23N5O14P2 | 7.9 | HMDB0001178 | C00301 |
| alpha-ketoglutarate | C5H6O5 | 7.9 | HMDB0000208 | C00026 |
| dCMP | C9H14N3O7P | 7.9 | HMDB0001202 | C00239 |
| dihydroxyacetone-phosphate | C3H7O6P | 7.9 | HMDB0001473 | C00111 |
| succinate* | C4H6O4 | 7.9 | HMDB0000254 | C00042 |
| UMP | C9H13N2O9P | 7.9 | HMDB0000288 | C00105 |
| AICAR | C9H15N4O8P | 8.0 | HMDB0001517 | C04677 |
| cystathionine | C7H14N2O4S | 8.0 | HMDB0000099 | C02291 |
| phosphoethanolamine | C2H8NO4P | 8.0 | HMDB0000224 | C00346 |
| ADP | C10H15N5O10P2 | 8.1 | HMDB0001341 | C00008 |
| phosphocreatine | C4H10N3O5P | 8.1 | HMDB0001511 | C02305 |
| ribulose-5-phosphate | C5H11O8P | 8.1 | HMDB0000618 | C00199 |
| saccharopine | C11H20N2O6 | 8.1 | HMDB0000279 | C00449 |
| UDP-GlcNAc | C17H27N3O17P2 | 8.1 | HMDB0000290 | C00043 |
| IMP | C10H13N4O8P | 8.2 | HMDB0000175 | C00130 |
| ribose-5-phosphate | C5H11O8P | 8.2 | HMDB0001548 | C00117 |
| dGMP | C10H14N5O7P | 8.3 | HMDB0001044 | C00362 |
| fumarate* | C4H4O4 | 8.3 | HMDB0000134 | C00122 |
| malate | C4H6O5 | 8.3 | HMDB0000156 | C00149 |
| CMP | C9H14N3O8P | 8.4 | HMDB0000095 | C00055 |
| dATP | C10H16N5O12P3 | 8.4 | HMDB0001532 | C00131 |
| fructose-1-phosphate1 | C6H13O9P | 8.4 | HMDB0000399 | C01094 |
| fructose-6-phosphate1 | C6H13O9P | 8.4 | HMDB0000124 | C00085 |
| glucose-1-phosphate | C6H13O9P | 8.4 | HMDB0001586 | C00103 |
| glyceraldehyde-3-phosphate | C3H7O6P | 8.4 | HMDB0001112 | C00661 |
| dihydrofolate | C19H21N7O6 | 8.5 | HMDB0001056 | C00415 |
| mannose-1-phosphate X | C6H13O9P | 8.5 | HMDB0006330 | C00636 |
| mannose-6-phosphate X | C6H13O9P | 8.5 | HMDB0001078 | C00275 |
| dCDP | C9H15N3O10P2 | 8.6 | HMDB0001245 | C00705 |
| dTTP | C10H17N2O14P3 | 8.6 | HMDB0001342 | C00459 |
| Glucosamine-6-Phosphate | C6H14NO8P | 8.6 | HMDB0001254 | C00352 |
| sedoheptulose-7-phosphate | C7H15O10P | 8.6 | HMDB0001068 | C05382 |
| UDP-Xylose | C14H22N2O16P2 | 8.6 | HMDB0001013 | C00190 |
| carbamoyl-aspartate | C5H8N2O5 | 8.7 | HMDB0000828 | C00438 |
| phosphoserine | C3H8NO6P | 8.7 | HMDB0000272 | C01005 |
| UDP-glucose3 | C15H24N2O17P2 | 8.7 | HMDB0000286 | C00029 |
| UDP-galactose3 | C15H24N2O17P2 | 8.7 | HMDB0000302 | C00052 |
| 2-phosphoglyceric-acid | C3H7O7P | 8.8 | HMDB0003391 | C00631 |
| argininosuccinate | C10H18N4O6 | 8.8 | HMDB0000052 | C03406 |
| GMP | C10H14N5O8P | 8.8 | HMDB0001397 | C00144 |
| ornithine* | C5H12N2O2 | 8.8 | HMDB0000214 | C00077 |
| dUTP | C9H15N2O14P3 | 8.9 | HMDB0001191 | C00460 |
| glucose-6-phosphate | C6H13O9P | 8.9 | HMDB0001401 | C00092 |
| ATP | C10H16N5O13P3 | 9.0 | HMDB0000538 | C00002 |
| Cysteine-Glutathione-Disulfide | C13H22N4O8S2 | 9.0 | HMDB0000656 | C05526 |
| dGDP | C10H15N5O10P2 | 9.0 | HMDB0000960 | C00361 |
| Folic-acid | C19H19N7O6 | 9.0 | HMDB0000121 | C00504 |
| 3-phosphoglyceric-acid | C3H7O7P | 9.1 | HMDB0060180 | C00197 |
| CDP | C9H15N3O11P2 | 9.2 | HMDB0001546 | C00112 |
| cis-aconitate | C6H6O6 | 9.3 | HMDB0000072 | C00417 |
| dCTP | C9H16N3O13P3 | 9.3 | HMDB0000998 | C00458 |
| NADP | C21H28N7O17P3 | 9.3 | HMDB0000217 | C00006 |
| GDP-Fucose | C16H25N5O15P2 | 9.4 | HMDB0001095 | C00325 |
| lysine | C6H14N2O2 | 9.4 | HMDB0000182 | C00047 |
| phosphoenolpyruvate | C3H5O6P | 9.4 | HMDB0000263 | C00074 |
| arginine^ | C6H14N4O2 | 9.5 | HMDB0000517 | C00062 |
| citrate* | C6H8O7 | 9.6 | HMDB0000094 | C00158 |
| UTP | C9H15N2O15P3 | 9.6 | HMDB0000285 | C00075 |
| 6-phosphogluconate | C6H13O10P | 9.7 | HMDB0001316 | C00345 |
| GDP | C10H15N5O11P2 | 9.7 | HMDB0001201 | C00035 |
| glutathione-oxidized | C20H32N6O12S2 | 9.7 | HMDB0003337 | C00127 |
| N1-Acetyl-Spermidine | C9H21N3O | 9.7 | HMDB0001276 | C00612 |
| NADPH | C21H30N7O17P3 | 9.7 | HMDB0000221 | C00005 |
| dGTP | C10H16N5O13P3 | 9.8 | HMDB0001440 | C00286 |
| ITP | C10H15N4O14P3 | 9.8 | HMDB0000189 | C00081 |
| xanthosine-monophosphate | C10H13N4O9P | 9.9 | HMDB0001554 | C00655 |
| isocitrate | C6H8O7 | 10.0 | HMDB0000193 | C00311 |
| ribulose-1,5-bisphosphate | C5H12O11P2 | 10.0 | HMDB0244230 | C01182 |
| CTP | C9H16N3O14P3 | 10.1 | HMDB0000082 | C00063 |
| fructose-1,6-bisphosphate | C6H14O12P2 | 10.2 | HMDB0001058 | C05378 |
| UDP-glucuronic acid | C15H22N2O18P2 | 10.3 | HMDB0000935 | C00167 |
| GTP | C10H16N5O14P3 | 10.5 | HMDB0001273 | C00044 |
| PRPP | C5H13O14P3 | 10.6 | HMDB0000280 | C00119 |
| N1-Acetyl-Spermine | C12H28N4O | 11.9 | HMDB0001186 | C02567 |
| Putrescine | C4H12N2 | 13.2 | HMDB0001414 | C00134 |
| Cadeverin | C5H14N2 | 15.2 | HMDB0002322 | C01672 |
| 1,6-Diaminohexane | C6H16N2 | 15.6 | HMDB0244244 | n/a |
| 5-hydroxynorvaline | C5H11NO3 | – | HMDB0031658 | n/a |
| BH2 | C9H13N5O3 | – | HMDB0000038 | C02953 |
| BH4 | C9H15N5O3 | – | HMDB0000027 | C00272 |
| cystine^ | C6H12N2O4S2 | – | HMDB0000192 | C00491 |
| Glutaric acid* | C5H8O4 | – | HMDB0000661 | C00489 |
| malonyl-CoA | C24H38N7O19P3S | – | HMDB0001175 | C00083 |
| Phosphoadenosine-phosphosulfate | C10H15N5O13P2S | – | HMDB0001134 | C00053 |
| qBH2 | C9H13N5O3 | – | HMDB0000244 | n/a |
*) Deuterium standard available.
1) Can not be distinguished with std. polar method.
2) Can not be distinguished with std. polar method. Instead, a method inspired by Serafimov & Lämmerhofer is used.
3) Can not be distinguished with std. polar method. Instead, method by Lan et al is used.