Table 1.
CSF metabolites previously not reported in the Human Metabolome Database (HMDB).
| Metabolite | HMDB ID | Formula | Mass (Da) 1 | Reported in CSF in Literature 2 | Previously Detected in (Biofluids) 3 |
|---|---|---|---|---|---|
| Cortexolone (11-deoxycortisol) | HMDB0000015 | C21H30O4 | 346.214 | No | Urine, blood |
| 1-Methyladenosine | HMDB0003331 | C11H15N5O4 | 281.112 | [27] | Urine, blood |
| 3-(2-Hydroxyphenyl)propanoic acid (melilotic acid) | HMDB0033752 | C9H10O3 | 166.063 | No | Feces |
| 3-Methyladenine | HMDB0011600 | C6H7N5 | 149.070 | No | Urine, blood |
| 4-Acetamidobutanoic acid | HMDB0003681 | C6H11NO3 | 145.074 | [27,29] | Urine, blood, feces |
| 4-Methylcatechol | HMDB0000873 | C7H8O2 | 124.052 | No | Urine, blood, feces |
| 5-Methylcytosine | HMDB0002894 | C5H7N3O | 125.059 | No | Not previously reported (possible source: food/endogenous) |
| Aldosterone | HMDB0000037 | C21H28O5 | 360.194 | No | Urine, blood, saliva |
| Aminoadipic acid | HMDB0000510 | C6H11NO4 | 161.069 | No | Urine, blood, feces, saliva |
| Corticosterone (17-deoxycortisol) | HMDB0001547 | C21H30O4 | 346.214 | [30] | Urine, blood |
| Cortisone | HMDB0002802 | C21H28O5 | 360.194 | [31] | Urine, blood |
| Dehydroascorbic acid | HMDB0001264 | C6H6O6 | 174.016 | [32,33] | Urine, blood |
| Deoxyguanosine | HMDB0000085 | C10H13N5O4 | 267.097 | No | Urine, blood, feces, saliva |
| Glutarylcarnitine | HMDB0013130 | C12H21NO6 | 275.137 | [27,34] | Urine, blood |
| Guanosine | HMDB0000133 | C10H13N5O5 | 283.092 | No | Urine, blood, feces, saliva |
| Indole-3-acetamide | HMDB0029739 | C10H10N2O | 174.079 | No | Urine, blood |
| Methyl jasmonate | HMDB0036583 | C13H20O3 | 224.141 | No | Urine |
| 5’-Methylthioadenosine | HMDB0001173 | C11H15N5O3S | 297.090 | [29,35] | Urine, blood |
| Monoethyl malonic acid | HMDB0000576 | C5H8O4 | 132.042 | No | Blood |
| N-Acetyl-L-alanine | HMDB0000766 | C5H9NO3 | 131.058 | [29,36] | Urine, feces |
| N-Acetylleucine | HMDB0011756 | C8H15NO3 | 173.105 | No | Feces, saliva |
| N-Acetyl-L-methionine | HMDB0011745 | C7H13NO3S | 191.062 | No | Feces, saliva |
| N-Acetyl-L-phenylalanine | HMDB0000512 | C11H13NO3 | 207.090 | [27] | Feces, saliva |
| Niacinamide | HMDB0001406 | C6H6N2O | 122.048 | No | Urine, blood, feces, breast milk |
| N-methyl-L-glutamic Acid | HMDB0062660 | C6H11NO4 | 161.069 | No | Urine |
| l-Norleucine | HMDB0001645 | C6H13NO2 | 131.095 | No | Urine, blood, feces |
| l-Pipecolic acid | HMDB0000716 | C6H11NO2 | 129.079 | [37,38] | Blood, feces |
| Pyrrole-2-carboxylic acid | HMDB0004230 | C5H5NO2 | 111.032 | No | Urine, blood, feces |
| Sebacic acid | HMDB0000792 | C10H18O4 | 202.121 | No | Urine, blood, feces |
| Thyroxine | HMDB0000248 | C15H11I4NO4 | 776.687 | [39] | Urine, blood, saliva |
| trans-Aconitic acid | HMDB0000958 | C6H6O6 | 174.016 | No | Urine, blood |
1 Monoisotopic masses with three decimals shown. 2 All metabolites not reported in CSF in the HMDB were further reviewed in the literature by manually searching PubMed (pubmed.gov) (accessed on 29 January 2020) and Google for “metabolite name” AND “cerebrospinal fluid”/”CSF”. Here we cite publications where the metabolites have previously been detected in CSF. 3 According to data in the HMDB.