x 32
L-Amino acids
| HMDB0000159 | L-Phenylalanine | (CAS 63-91-2) | |
| HMDB0000056 | β-Alanine | (Beta-Alanine) | (CAS 107-95-9) |
| HMDB0000517 | L-Arginine | (CAS 74-79-3) | |
| HMDB0000670 | L-Homoarginine hydrochloride | (CAS 1483-01-8) | |
| HMDB0000177 | L-Histidine | (CAS 71-00-1) | |
| HMDB0000182 | L-Lysine | (CAS 56-87-1) | |
| HMDB0000191 | L-Aspartic acid | (CAS 56-84-8) | |
| HMDB0000148 | L-Glutamic acid | (CAS 56-86-0) | |
| HMDB0000641 | L-Glutamine | (CAS 56-85-9) | |
| HMDB0000187 | L-Serine | (CAS 56-45-1) | |
| HMDB0000719 | L-Homoserine | (CAS 672-15-1) | |
| HMDB0000167 | L-Threonine | (FEMA 4710) | (CAS 72-19-5) |
| HMDB0000168 | L-Asparagine | (CAS 70-47-3) | |
| HMDB0000574 | L-Cysteine | (CAS 52-90-4) | |
| HMDB0000742 | DL-Homocysteine | (CAS 454-29-5) | |
| HMDB0000123 | Glycine | (CAS 56-40-6) | |
| HMDB0000162 | L-Proline | (CAS 147-85-3) | |
| HMDB0000172 | L-Isoleucine | (FEMA 4675) | (CAS 73-32-5) |
| HMDB0000687 | L-Leucine | (CAS 61-90-5) | |
| HMDB0001645 | L-Norleucine | ((S)-2-Aminocaproic acid) | (CAS 327-57-1) |
| HMDB0000696 | L-Methionine | (CAS 63-68-3) | |
| HMDB0003966 | L-(+)-Selenomethionine | (CAS 3211-76-5) | |
| HMDB0000929 | L-Tryptophan | (CAS 73-22-3) | |
| HMDB0000158 | L-Tyrosine | (CAS 60-18-4) | |
| HMDB0000883 | L-Valine | (CAS 72-18-4) | |
| HMDB0013716 | L-Norvaline | ((S)-(+)-2-Aminopentanoic acid) | (CAS 6600-40-4) |
| HMDB0000679 | L-Homocitrulline | (CAS 1190-49-4) | |
| HMDB0000904 | L-Citrulline | (CAS 372-75-8) | |
| HMDB0000062 | L-Carnitine inner salt | (CAS 541-15-1) | |
| HMDB0000251 | Taurine | (CAS 107-35-7) | |
| HMDB0000161 | L-Alanine | (FEMA 3818) | (CAS 56-41-7) |
| HMDB0000214 | Ornithine HCl | (CAS 3184-13-2) | |
x 18
D-Amino acids
| HMDB0006483 | D-Aspartic acid | (CAS 1783-96-6) |
| HMDB0003417 | D-Cysteine | (CAS 921-01-7) |
| HMDB0003411 | D-Proline | (CAS 344-25-2) |
| HMDB0013609 | D-(+)-Tryptophan | (CAS 153-94-6) |
| HMDB0003339 | D-Glutamic acid | (CAS 6893-26-1) |
| HMDB0001310 | D-alanine | (CAS 338-69-2) |
| PUBCHEMCID71563 | D-Valine | (CAS 640-68-6) |
| HMDB0003423 | D-Glutamine | (CAS 5959-95-5) |
| PUBCHEMCID71098 | D-Tyrosine | (CAS 556-02-5) |
| HMDB0003416 | D-Arginine | (CAS 157-06-2) |
| HMDB0013773 | D-Leucine | (CAS 328-38-1) |
| PUBCHEMCID71567 | D-Phenylalanine | (CAS 673-06-3) |
| HMDB0033780 | D-Asparagine | (CAS 2058-58-4) |
| PUBCHEMCID84815 | D-Methionine | (CAS 348-67-4) |
| HMDB0003406 | D-Serine | (CAS 312-84-5) |
| PUBCHEMCID71083 | D-Histidine | (CAS 351-50-8) |
| PUBCHEMCID69435 | D-Threonine | (CAS 632-20-2) |
| PUBCHEMCID57449 | D-Lysine | (CAS 923-27-3) |
x 14
Dipeptides
| HMDB0028694 | L-Alanyl-L-phenylalanine | (CAS 3061-90-3) | |
| HMDB0028685 | L-Alany-L-glutamine | (CAS 39537-23-0) | |
| HMDB0000194 | L-Anserine | (CAS 584-85-0) | |
| HMDB0011733 | Glycyl-glycine | (Gly-Gly) | (CAS 556-50-3) |
| HMDB0000759 | Glycyl-L-leucine | (CAS 869-19-2) | |
| HMDB0028853 | Glycyl-L-tyrosine | (Glycyltyrosine) | (CAS 658-79-7) |
| HMDB0028854 | Glycyl-L-valine | (CAS 1963-21-9) | |
| HMDB0000192 | L-Cystine | (CAS 56-89-3) | |
| HMDB0012881 | N-Acetyl carnosine | (CAS 56353-15-2) | |
| HMDB0000033 | L-Carnosine | (CAS 305-84-0) | |
| HMDB0000575 | DL-Homocystine | (CAS 870-93-9) | |
| HMDB0028995 | Gly-Phe-OH | (Glycyl-L-phenylalanine) | (CAS 3321-03-7) |
| HMDB0000721 | Glycyl-L-proline | (CAS 704-15-4) | |
| HMDB0028839 | Glycyl-L-glutamine | (CAS 13115-71-4) | |
x 22
Acetylated amino acids
| HMDB0000512 | N-Acetyl-L-phenylalanine | (CAS 2018-61-3) | |
| HMDB0000766 | N-Acetyl-L-alanine | (CAS 97-69-8) | |
| HMDB0004620 | N-Acetyl-L-arginine dihydrate | (CAS 210545-23-6) | |
| HMDB0000446 | N-Acetyl-L-Lysine | (CAS 1946-82-3) | |
| HMDB0000812 | N-Acetyl-L-aspartic acid | (CAS 997-55-7) | |
| HMDB0001138 | N-Acetylglutamic acid | (CAS 1188-37-0) | |
| HMDB0006029 | N-α-Acetyl-L-glutamine | (CAS 2490-97-3) | |
| HMDB0002931 | N-Acetyl-DL-serine | (CAS 97-14-3) | |
| HMDB0003011 | O-Acetyl-L-serine hydrochloride | (CAS 66638-22-0) | |
| HMDB0001890 | N-Acetyl-L-cysteine | (Acetylcysteine) | (CAS 616-91-1) |
| HMDB0000532 | N-Acetylglycine | (CAS 543-24-8) | |
| HMDB0094701 | N-Acetyl-L-Proline | (Acetyl proline) | (CAS 68-95-1) |
| HMDB0011756 | N-Acetyl-L-leucine | (N-Acetylleucine) | (CAS 1188-21-2) |
| HMDB0011745 | N-Acetyl-L-methionine | (CAS 65-82-7) | |
| HMDB0013713 | N-Acetyl-DL-Tryptophan | (CAS 87-32-1) | |
| HMDB0000866 | N-Acetyl-L-tyrosine | (Acetyltyrosine) | (CAS 537-55-3) |
| HMDB0000201 | O-Acetyl-L-carnitine HCl | (acetyl carnitine hydrochloride) | (CAS 5080-50-2) |
| HMDB0006028 | N-Acetyl-L-asparagine | (CAS 4033-40-3) | |
| PUBCHEMCID132213 | Acetyl-D-alanine | (CAS 19436-52-3) | |
| HMDB0061684 | N-Acetyl-L-Isoleucine | (CAS 3077-46-1) | |
| PUBCHEMCID91746269 | Ac-L-Orn-OH | (CAS 6205-08-9) | |
| HMDB0011757 | N-Acetyl-L-valine | (CAS 96-81-1) | |
x 52
Other
| PUBCHEMCID2734767 | β-Alanine methyl ester hydrochloride | (Methyl 3-aminopropanoate HCl) | (CAS 3196-73-4) | |
| HMDB0003431 | L-Histidinol Dihydrochloride | (CAS 1596-64-1) | | |
| PUBCHEMCID92893 | D-histidine methyl ester dihydrochloride | (CAS 4467-54-3) | | |
| HMDB0002393 | N-Methyl-D-aspartic acid | (NMDA) | (CAS 6384-92-5) | |
| HMDB0000267 | L-Pyroglutamic acid | (CAS 98-79-3) | | |
| HMDB0000805 | D-Pyroglutamic acid | (D-Glutamic acid lactam | (R)-(+)-2-Pyrrolidone-5-carboxylic acid) | (CAS 4042-36-8) |
| HMDB0062795 | N-Carbamyl-L-Glutamic Acid | (CAS 1188-38-1) | | |
| HMDB0014405 | D-Cycloserine | (CAS 68-41-7) | | |
| HMDB0000943 | L-Threonic acid Calcium Salt | (CAS 70753-61-6) | | |
| HMDB0002287 | DL-Homocysteine thiolactone hydrochloride | (CAS 6038-19-3) | | |
| HMDB0002757 | L-Cysteic acid monohydrate | (CAS 23537-25-9) | | |
| HMDB0002991 | Cysteamine hydrochloride | (CAS 156-57-0) | | |
| HMDB0029415 | Carbocysteine | (S-Carboxymethyl-L-cysteine) | (CAS 638-23-3) | |
| HMDB0029432 | S-Methyl-L-cysteine sulfoxide | (CAS 6853-87-8) | | |
| HMDB0034323 | S-Allyl-L-cysteine | (CAS 21593-77-1) | | |
| HMDB0000092 | N | N-Dimethylglycine hydrochloride | (Dimethylglycine) | (CAS 1118-68-9) |
| HMDB0000678 | 2-(3-Methylbutanamido)acetic acid | (N-Isovalerylglycine) | (CAS 16284-60-9) | |
| HMDB0062472 | Glycinamide hydrochloride | (CAS 1668-10-6) | | |
| PUBCHEMCID21477529 | Glycine lauryl ester HCl | (CAS 16194-11-9) | | |
| HMDB0000725 | trans-4-L-Hydroxyproline | (L-Hydroxyproline) | (CAS 51-35-4) | |
| HMDB0060460 | cis-4-Hydroxy-D-proline | (CAS 2584-71-6) | | |
| HMDB0000695 | 4-methyl-2-Oxovalerate (sodium salt) | (2-Ketoisocaproate | Ketoleucine) | (CAS 4502-00-5) |
| HMDB0000746 | L-Leucic acid calcium salt | ((S)-(−)-2-Hydroxyisocaproic acid) | (CAS 13748-90-8) | |
| HMDB0001185 | S-(5′-Adenosyl)-L-methionine p-toluenesulfonate salt | (S-Adenosylmethionine) | (CAS 52248-03-0) | |
| HMDB0000472 | L-5-Hydroxytryptophan | (CAS 4350-09-8) | | |
| HMDB0003447 | Tryptophol | (Indole-3-ethanol | 3-(2-Hydroxyethyl)indole) | (CAS 526-55-6) |
| HMDB0001885 | 3-Chloro-L-Tyrosine | (CAS 7423-93-0) | | |
| HMDB0002199 | 3-(4-Hydroxyphenyl)propionic acid | (CAS 501-97-3) | | |
| HMDB0014903 | Metyrosine | (α-methyl-L-tyrosine) | (CAS 672-87-7) | |
| HMDB0059720 | DL-m-Tyrosine | (CAS 775-06-4) | | |
| PUBCHEMCID11008044 | N | N-dimethyl-L-Valine | (CAS 2812-32-0) | |
| HMDB0000125 | L-Glutathione reduced | (GSH) | (CAS 70-18-8) | |
| HMDB0003337 | L-Glutathione oxidized | (CAS 27025-41-8) | | |
| HMDB0034365 | L-Theanine | (L-gamma-Glutamylethylamide) | (CAS 3081-61-6) | |
| HMDB0000824 | Propionyllevocarnitine | (Propionyl carnitine HCl) | (CAS 119793-66-7) | |
| HMDB0000272 | Phosphoserine | (O-phospho-L-Serine) | (CAS 407-41-0) | |
| HMDB0002006 | DL-2 | 3-Diaminopropionic acid monohydrochloride | (3-Amino-DL-alanine monohydrochloride) | (CAS 54897-59-5) |
| HMDB0001904 | 3-Nitro-L-tyrosine | (CAS 621-44-3) | | |
| HMDB0001432 | Agmatine sulfate | (Agmatine sulfate | Agmatine) | (CAS 2482-00-0) |
| HMDB0013318 | H-Trp-NH2.HCl | (Tryptophanamide hydrochloride) | (CAS 5022-65-1) | |
| HMDB0029419 | Glycyl-glycyl-glycine | (Gly-Gly-Gly) | (CAS 556-33-2) | |
| HMDB0001015 | N-Formyl-L-methionine | (CAS 4289-98-9) | | |
| HMDB0000582 | 3 | 5-Diiodo-L-Thyronine | (CAS 1041-01-6) | |
| PUBCHEMCID643511 | (S)-(+)-5-Hydroxymethyl-2-pyrrolidinone | (CAS 17342-08-4) | | |
| PUBCHEMCID16038806 | O-Methyl-L-serine hydrochloride | (CAS 336100-47-1) | | |
| PUBCHEMCID445883 | L-Isoglutamine | (CAS 636-65-7) | | |
| PUBCHEMCID88251 | (R)-2-Amino-3-methoxypropanoic acid | (O-Methyl-D-serine) | (CAS 86118-11-8) | |
| HMDB0000021 | 3-Iodotyrosine | (CAS 70-78-0) | | |
| HMDB0029416 | L-Arginine methyl ester dihydrochloride | (L-Targinine) | (CAS 26340-89-6) | |
| HMDB0006049 | O-Phospho-L-tyrosine | (CAS 21820-51-9) | | |
| HMDB0003474 | 3 | 5-Diiodo-L-tyrosine | (CAS 300-39-0) | |
| PUBCHEMCID93131 | Glycylsarcosine | (CAS 29816-01-1) | | |
x 29
Mono-carboxilic fatty acids
| HMDB0000237 | Sodium Propionate | (C2-COONa) | (CAS 137-40-6) | | |
| HMDB0000039 | Butyric acid | Na salt | (C3-COONa) | (Sodium butyrate) | (CAS 156-54-7) |
| HMDB0000535 | Hexanoic acid | (C5-COOH) | (Caproic acid) | (FEMA 2559) | (CAS 142-62-1) |
| HMDB0000666 | Heptanoic acid | (C6-COOH) | (FEMA 3348) | (CAS 111-14-8) | |
| HMDB0000482 | Sodium caprylate | (C7-COONA) | (FEMA 2799) | (CAS 1984-06-1) | |
| HMDB0000847 | Nonanoic acid | (C8-COOH) | (FEMA 2784) | (CAS 112-05-0) | |
| HMDB0000511 | Decanoic acid | (C9-COOH) | (Capric acid) | (FEMA 2364) | (CAS 334-48-5) |
| HMDB0000947 | Undecanoic acid | (C10-COOH) | (Undecylic acid) | (FEMA 3245) | (CAS 112-37-8) |
| HMDB0000910 | Tridecanoic acid | (C12-COOH) | (FEMA 4336) | (CAS 638-53-9) | |
| HMDB0000826 | Pentadecanoic acid | (C14-COOH) | (FEMA 4334) | (CAS 1002-84-2) | |
| HMDB0000220 | Hexadecanoic acid | (Palmitic acid) | (FEMA 2832) | (CAS 57-10-3) | |
| HMDB0002259 | Heptadecanoic acid | (CAS 506-12-7) | | | |
| HMDB0000827 | Stearic acid | (C17-COOH) | (Octadecanoic acid) | (FEMA 3035) | (CAS 57-11-4) |
| HMDB0000772 | Nonadecanoic acid | (C18-COOH) | (CAS 646-30-0) | | |
| HMDB0002212 | Arachidic acid | (C19-COOH) | (Eicosanoic acid) | (CAS 506-30-9) | |
| HMDB0002345 | Heneicosanoic acid | (CAS 2363-71-5) | | | |
| HMDB0000944 | Docosanoic acid | (C21-COOH) | (CAS 112-85-6) | | |
| HMDB0001160 | Tricosanoic acid | (C22-COOH) | (CAS 2433-96-7) | | |
| HMDB0002003 | Lignoceric acid | (C23-COOH) | (Tetracosanoic acid) | (CAS 557-59-5) | |
| HMDB0000638 | Lauric acid | (C11-COOH) | (Dodecanoic acid) | (FEMA 2614) | (CAS 143-07-7) |
| HMDB0000806 | Myristic acid | (C13-COOH) | (Tetradecanoic acid) | (FEMA 2764) | (CAS 544-63-8) |
| HMDB0002368 | Nervonic acid | (CAS 506-37-6) | | | |
| HMDB0000892 | Valeric acid | (Pentanoic acid) | (FEMA 3101) | (CAS 109-52-4) | |
| HMDB0000207 | Oleic acid sodium salt | (C17(9Z)-COOH) | (Elainic acid sodium salt) | (FEMA 2815) | (CAS 143-19-1) |
| HMDB0000673 | Linoleic Acid (sodium salt) | (C17(Z9 | Z12)-COONa) | (CAS 822-17-3) | |
| HMDB0002080 | cis-Petroselinic Acid | (C17(Z6)-COOH) | (CAS 593-39-5) | | |
| HMDB0003229 | Palmitoleic acid | (C15(Z6)-COOH) | (CAS 373-49-9) | | |
| HMDB0000573 | Elaidic Acid | (C17(E9)-COOH) | (CAS 112-79-8) | | |
| HMDB0001388 | α-Linolenic Acid (sodium salt) | (C17(9Z | 12Z | 15Z)-COOH) | (CAS 822-18-4) |
x 20
Dicarboxilic fatty acids
| HMDB0002329 | Oxalic acid | (C2-dicarboxylic acid) | (CAS 144-62-7) | | | |
| HMDB0000691 | Malonic acid disodium salt | (C3-carboxylic acid) | (CAS 141-95-7) | | | |
| HMDB0000254 | Succinic acid | (C4-dicarboxylic acid) | (FEMA 4719) | (CAS 110-15-6) | | |
| HMDB0000661 | Glutaric acid | (C5-dicarboxylic acid) | (CAS 110-94-1) | | | |
| HMDB0000448 | Adipic acid | (C6-dicarboxylic acid) | (CAS 124-04-9) | | | |
| HMDB0000857 | Heptanedioic acid | (C7-dicarboxylic acid) | (Pimelic acid) | (CAS 111-16-0) | | |
| HMDB0000893 | Suberic acid | (C8-dicarboxylic acid) | (1 | 6-Hexanedicarboxylic Acid | Octanedioic Acid) | (CAS 505-48-6) |
| HMDB0000784 | Azelaic acid | (C9-dicarboxylic acid) | (Nonanedioic acid) | (CAS 123-99-9) | | |
| HMDB0000792 | Sebacic acid | (C10-dicarboxylic acid) | (Decanedioic acid) | (CAS 111-20-6) | | |
| HMDB0000623 | Dodecanedioic acid | (C12-dicarboxylic acid) | (CAS 693-23-2) | | | |
| HMDB0000672 | Hexadecanedioic acid | (C16-dicarboxylic acid) | (CAS 505-54-4) | | | |
| HMDB0000872 | Tetradecanedioic acid | (C14-dicarboxylic acid) | (CAS 821-38-5) | | | |
| HMDB0002327 | Tridecanedioic acid | (C13-dicarboxylic acid) | (1 | 11-Undecanedicarboxylic acid) | (CAS 505-52-2) | |
| HMDB0000134 | Fumaric acid | (CAS 110-17-8) | | | | |
| HMDB0000156 | L-(−)-Malic acid | (FEMA 2655) | (CAS 97-67-6) | | | |
| HMDB0000176 | Maleic acid | (CAS 110-16-7) | | | | |
| HMDB0000933 | Traumatic acid | ((E)-2-Dodecenedioic Acid) | (CAS 6402-36-4) | | | |
| HMDB0000393 | trans-2-Butene-1 | 4-dicarboxylic acid | (trans-3-Hexenedioic acid) | (CAS 4436-74-2) | | |
| HMDB0006331 | cis | cis-Muconic acid | (CAS 1119-72-8) | | | |
| HMDB0034252 | DL-α-Aminopimelic acid | (CAS 627-76-9) | | | | |
x 14
Fatty alcohols (normal)
| HMDB0004327 | 1-Butanol | (C4-OH) | (CAS 71-36-3) | | |
| HMDB0013036 | 1-Pentanol | (C5-OH) | (CAS 71-41-0) | | |
| HMDB0012971 | 1-Hexanol | (C6-OH) | (FEMA 2567) | (CAS 111-27-3) | |
| HMDB0031479 | 1-Heptanol | (C7-OH) | (FEMA 2548) | (CAS 111-70-6) | |
| HMDB0001183 | 1-Octanol | (C8-OH) | (FEMA 2800) | (CAS 111-87-5) | |
| HMDB0011624 | 1-Decanol | (C10-OH) | (FEMA 2365) | (CAS 112-30-1) | |
| HMDB0011626 | 1-Dodecanol | (C12-OH) | (CAS 112-53-8) | | |
| HMDB0002350 | Stearyl alcohol | (C18-OH) | (CAS 112-92-5) | | |
| HMDB0003424 | 1-Hexadecanol | (C16-OH) | (Cetyl alcohol | Palmityl alcohol) | (CAS 36653-82-4) |
| HMDB0031016 | 10-Undecen-1-ol | (CAS 112-43-6) | | | |
| HMDB0011638 | 1-Tetradecanol | (Tetradecanol) | (CAS 112-72-1) | | |
| PUBCHEMCID80281 | 1-Nonadecanol | (C19-OH) | (CAS 1454-84-8) | | |
| HMDB0013113 | 1-Undecanol | (Undecyl alcohol) | (FEMA 3098) | (CAS 112-42-5) | |
| HMDB0014770 | 1-Docosanol | (C22-OH) | (Behenyl alcohol) | (CAS 661-19-8) | |
x 9
Fatty alcohol derivatives
| HMDB0006007 | 3-Methyl-1-butanol | (Isopentanol | Isoamyl alcohol) | (FEMA 2057) | (CAS 123-51-3) |
| HMDB0011469 | 2-Butanol | (CAS 78-92-2) | | | |
| HMDB0031527 | 2-Methyl-1-butanol | (FEMA 3998) | (CAS 137-32-6) | | |
| HMDB0006006 | 2-Methyl-1-propanol | (Isobutanol) | (FEMA 2179) | (CAS 78-83-1) | |
| HMDB0030003 | cis-3-Hexen-1-ol | (3-Hexen-1-ol) | (FEMA 2563) | (CAS 928-96-1) | |
| HMDB0003243 | 3-Hydroxy-2-butanone | (Acetoin dimer) | (FEMA 2008) | (CAS 513-86-0) | |
| PUBCHEMCID186078 | Glycolaldehyde dimer | (1 | 4-Dioxane-2 | 5-diol) | (CAS 23147-58-2) |
| HMDB0003156 | 2 | 3-Butanediol (mixture of isomers) | (CAS 513-85-9) | | |
| HMDB0030124 | 3-Methyl-2-buten-1-ol | (FEMA 3647) | (CAS 556-82-1) | | |
x 8
Steroids
| HMDB0030094 | Betulinic acid | (CAS 472-15-1) | | |
| HMDB0000937 | Stigmasterol | (CAS 83-48-7) | | |
| HMDB0000067 | Cholesterol | (CAS 57-88-5) | | |
| HMDB0000908 | Cholestanol | (Dihydrocholesterol | 5α-Cholestan-3β-ol) | (CAS 80-97-7) |
| HMDB0000153 | Estriol | (CAS 50-27-1) | | |
| HMDB0000032 | 7-Dehydrocholesterol | (CAS 434-16-2) | | |
| PUBCHEMCID99474 | Diosgenin | (CAS 512-04-9) | | |
| HMDB0000921 | Cholestenone | ((+)-4-Cholesten-3-one) | (CAS 601-57-0) | |
x 14
Bile acids
