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BMDB ID ![]() |
Name CAS Number |
IUPAC Name | Structure |
Formula Average MassMono Mass |
Biofluid Location |
---|---|---|---|---|---|
BMDB00156![]() |
L-Malic acid 97-67-6 |
(2S)-2-hydroxybutanedioic acid |
C4H6O5 134.087 134.021530 |
||
BMDB00157![]() |
Hypoxanthine 68-94-0 |
3,7-dihydropurin-6-one |
C5H4N4O 136.111 136.038513 |
|
|
BMDB00158![]() |
L-Tyrosine 60-18-4 |
2-amino-3-(4-hydroxyphenyl)-propanoic acid |
C9H11NO3 181.189 181.073898 |
|
|
BMDB00159![]() |
L-Phenylalanine 63-91-2 |
2-amino-3-phenyl-propanoic acid |
C9H11NO2 165.189 165.078979 |
|
|
BMDB00161![]() |
L-Alanine 56-41-7 |
(2S)-2-aminopropanoic acid |
C3H7NO2 89.093 89.047676 |
|
|
BMDB00162![]() |
L-Proline 147-85-3 |
(2S)-pyrrolidine-2-carboxylic acid |
C5H9NO2 115.131 115.063332 |
|
|
BMDB00163![]() |
D-Maltose 69-79-4 |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
C12H22O11 342.297 342.116211 |
|
|
BMDB00164![]() |
Methylamine 74-89-5 |
methanamine |
CH5N 31.057 31.042198 |
|
|
BMDB00167![]() |
L-Threonine 72-19-5 |
2-amino-3-hydroxy-butanoic acid |
C4H9NO3 119.119 119.058243 |
|
|
BMDB00168![]() |
L-Asparagine 70-47-3 |
2,4-diamino-4-oxo-butanoic acid |
C4H8N2O3 132.118 132.053497 |
|
|
BMDB00169![]() |
D-Mannose 3458-28-4 |
(3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
C6H12O6 180.156 180.063385 |
|
|
BMDB00172![]() |
L-Isoleucine 73-32-5 |
2-amino-3-methylpentanoic acid |
C6H13NO2 131.173 131.094635 |
|
|
BMDB00174![]() |
L-Fucose 2438-80-4 |
(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol |
C6H12O5 164.156 164.068481 |
|
|
BMDB00175![]() |
Inosinic acid 131-99-7 |
[3,4-dihydroxy-5-(6-hydroxypurin-9-yl)-oxolan-2-yl]methoxyphosphonic acid |
C10H13N4O8P 348.206 348.047089 |
||
BMDB00176![]() |
Maleic acid 110-16-7 |
but-2-enedioic acid |
C4H4O4 116.072 116.010956 |
||
BMDB00177![]() |
L-Histidine 71-00-1 |
2-amino-3-(3H-imidazol-4-yl)propanoic acid |
C6H9N3O2 155.155 155.069473 |
|
|
BMDB00181![]() |
L-Dopa 59-92-7 |
2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid |
C9H11NO4 197.188 197.068802 |
||
BMDB00182![]() |
L-Lysine 56-87-1 |
2,6-diaminohexanoic acid |
C6H14N2O2 146.188 146.105530 |
|
|
BMDB00186![]() |
Alpha-Lactose 63-42-3 |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol |
C12H22O11 342.297 342.116211 |
|
|
BMDB00187![]() |
L-Serine 56-45-1 |
2-amino-3-hydroxy-propanoic acid |
C3H7NO3 105.093 105.042595 |
|
|
BMDB00189![]() |
Inosine triphosphate 132-06-9 |
[[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
C10H15N4O14P3 508.166 507.979767 |
||
BMDB00190![]() |
L-Lactic acid 79-33-4 |
(2S)-2-hydroxypropanoic acid |
C3H6O3 90.078 90.031693 |
|
|
BMDB00191![]() |
L-Aspartic acid 56-84-8 |
2-aminobutanedioic acid |
C4H7NO4 133.103 133.037506 |
|
|
BMDB00192![]() |
L-Cystine 56-89-3 |
2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid |
C6H12N2O4S2 240.301 240.023849 |
|
|
BMDB00193![]() |
Isocitric acid 320-77-4 |
1-hydroxypropane-1,2,3-tricarboxylic acid |
C6H8O7 192.124 192.027008 |
|
|
BMDB00194![]() |
Anserine 584-85-0 |
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)-propanoic acid |
C10H16N4O3 240.259 240.122238 |
||
BMDB00195![]() |
Inosine 58-63-9 |
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
C10H12N4O5 268.226 268.080780 |
|
|
BMDB00197![]() |
Indoleacetic acid 87-51-4 |
2-(1H-indol-3-yl)acetic acid |
C10H9NO2 175.184 175.063324 |
||
BMDB00201![]() |
L-Acetylcarnitine 3040-38-8 |
(3S)-3-acetyloxy-4-trimethylammonio-butanoate |
C9H17NO4 203.236 203.115753 |
||
BMDB00202![]() |
Methylmalonic acid 516-05-2 |
2-methylpropanedioic acid |
C4H6O4 118.088 118.026611 |
|
|
BMDB00205![]() |
Phenylpyruvic acid 156-06-9 |
2-oxo-3-phenyl-propanoic acid |
C9H8O3 164.158 164.047348 |
|
|
BMDB00206![]() |
N6-Acetyl-L-lysine 692-04-6 |
(2S)-6-acetamido-2-amino-hexanoic acid |
C8H16N2O3 188.224 188.116089 |
||
BMDB00207![]() |
Oleic acid 112-80-1 |
9-Octadecenoic acid |
C18H34O2 282.461 282.255890 |
|
|
BMDB00208![]() |
Oxoglutaric acid 328-50-7 |
2-oxopentanedioic acid |
C5H6O5 146.098 146.021530 |
|
|
BMDB00209![]() |
Phenylacetic acid 103-82-2 |
2-phenylacetic acid |
C8H8O2 136.148 136.052429 |
|
|
BMDB00210![]() |
Pantothenic acid 79-83-4 |
3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid |
C9H17NO5 219.235 219.110672 |
|
|
BMDB00211![]() |
Myoinositol 87-89-8 |
(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol |
C6H12O6 180.156 180.063385 |
||
BMDB00212![]() |
N-Acetylgalactosamine 1811-31-0 |
N-(2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide |
C8H15NO6 221.208 221.089935 |
||
BMDB00213![]() |
Myo-inositol 1-phosphate 573-35-3 |
(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphonic acid |
C6H13O9P 260.136 260.029724 |
||
BMDB00214![]() |
Ornithine 70-26-8 |
2,5-diaminopentanoic acid |
C5H12N2O2 132.161 132.089874 |
|
|
BMDB00215![]() |
N-Acetyl-D-glucosamine 7512-17-6 |
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
C8H15NO6 221.208 221.089935 |
|
|
BMDB00216![]() |
Norepinephrine 51-41-2 |
4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol |
C8H11NO3 169.178 169.073898 |
||
BMDB00217![]() |
NADP 53-59-8 |
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
C21H29N7O17P3 744.413 744.083252 |
||
BMDB00218![]() |
Orotidylic acid 2149-82-8 |
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid |
C10H13N2O11P 368.191 368.025696 |
||
BMDB00220![]() |
Palmitic acid 57-10-3 |
Hexadecanoic acid |
C16H32O2 256.424 256.240234 |
|
|
BMDB00221![]() |
NADPH 53-57-6 |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate |
C21H30N7O17P3 745.421 745.091125 |
||
BMDB00222![]() |
L-Palmitoylcarnitine 2364-67-2 |
(3R)-3-hexadecanoyloxy-4-trimethylazaniumylbutanoate |
C23H45NO4 399.608 399.334869 |
|
|
BMDB00223![]() |
Oxalacetic acid 328-42-7 |
2-oxobutanedioic acid |
C4H4O5 132.072 132.005875 |
||
BMDB00224![]() |
O-Phosphoethanolamine 1071-23-4 |
2-aminoethyl dihydrogen phosphate |
C2H8NO4P 141.063 141.019089 |
||
BMDB00225![]() |
Oxoadipic acid 3184-35-8 |
2-oxohexanedioic acid |
C6H8O5 160.125 160.037170 |
||
BMDB00226![]() |
Orotic acid 65-86-1 |
2,6-dioxo-3H-pyrimidine-4-carboxylic acid |
C5H4N2O4 156.096 156.017105 |
|
|
BMDB00227![]() |
Mevalonic acid 150-97-0 |
3,5-dihydroxy-3-methyl-Pentanoic acid |
C6H12O4 148.157 148.073563 |
||
BMDB00229![]() |
Nicotinamide ribotide 1094-61-7 |
1-[3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]pyridine-5-carboxamide |
C11H15N2O8P 334.219 334.056610 |
||
BMDB00230![]() |
N-Acetylneuraminic acid 131-48-6 |
5-acetylamino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid |
C11H19NO9 309.270 309.105988 |
|
|
BMDB00232![]() |
Quinolinic acid 89-00-9 |
2,3-Pyridinedicarboxylic acid |
C7H5NO4 167.119 167.021851 |
||
BMDB00234![]() |
Testosterone 58-22-0 |
17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
C19H28O2 288.424 288.208923 |
|
|
BMDB00235![]() |
Thiamine 59-43-8 |
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol |
C12H17N4OS 265.355 265.112305 |
|
|
BMDB00237![]() |
Propionic acid 79-09-4 |
Propanoic acid |
C3H6O2 74.078 74.036781 |
|
|
BMDB00238![]() |
Sepiapterin 17094-01-8 |
2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-1H-pty oeridin-4-one |
C9H11N5O3 237.215 237.086182 |
||
BMDB00239![]() |
Pyridoxine 65-23-6 |
5-hydroxy-6-methyl-3,4-Pyridinedimethanol |
C8H11NO3 169.178 169.073898 |
|
|
BMDB00240![]() |
Sulfite 14265-45-3 |
sulfite |
[SO3]2- 80.063 79.956818 |
||
BMDB00241![]() |
Protoporphyrin IX 553-12-8 |
7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-Porphine-2,18-dipropanoic acid |
C34H34N4O4 562.658 562.257996 |
||
BMDB00243![]() |
Pyruvic acid 127-17-3 |
2-oxopropanoic acid |
C3H4O3 88.062 88.016045 |
|
|
BMDB00244![]() |
Riboflavin 83-88-5 |
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
C17H20N4O6 376.364 376.138275 |
|
|
BMDB00245![]() |
Porphobilinogen 487-90-1 |
3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
C10H14N2O4 226.229 226.095352 |
||
BMDB00246![]() |
Tetrahydrofuran 109-99-9 |
Oxolane |
C4H8O 72.106 72.057518 |
||
BMDB00247![]() |
Sorbitol 50-70-4 |
(2R,3R,4R,5S)-1,2,3,4,5,6-hexanol |
C6H14O6 182.172 182.079041 |
||
BMDB00248![]() |
Thyroxine 51-48-9 |
2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid |
C15H11I4NO4 776.870 776.686707 |
||
BMDB00250![]() |
Pyrophosphate 14000-31-8 |
phosphonooxyphosphonic acid |
[P2O7]4- 173.943 173.911926 |
||
BMDB00251![]() |
Taurine 107-35-7 |
2-amino-Ethanesulfonic acid |
C2H7NO3S 125.147 125.014664 |
|
|
BMDB00252![]() |
Sphingosine 123-78-4 |
(2S,3R,4E)-2-amino-4-Octadecene-1,3-diol |
C18H37NO2 299.492 299.282440 |
||
BMDB00253![]() |
Pregnenolone 145-13-1 |
1-[(3S,8S,9S,10R,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
C21H32O2 316.478 316.240234 |
||
BMDB00254![]() |
Succinic acid 110-15-6 |
Butanedioic acid |
C4H6O4 118.088 118.026611 |
|
|
BMDB00256![]() |
Squalene 111-02-4 |
(2E,6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-Tetracosahexaene |
C30H50 410.718 410.391266 |
||
BMDB00257![]() |
Thiosulfate 14383-50-7 |
thiosulfate |
[S2O3]2- 112.128 111.928886 |
||
BMDB00258![]() |
Sucrose 57-50-1 |
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
C12H22O11 342.297 342.116211 |
|
|
BMDB00259![]() |
Serotonin 50-67-9 |
3-(2-aminoethyl)-1H-Indol-5-ol |
C10H12N2O 176.215 176.094955 |
|
|
BMDB00262![]() |
Thymine 65-71-4 |
5-methyl-2,4(1H,3H)-pyrimidinedione |
C5H6N2O2 126.113 126.042931 |
|
|
BMDB00263![]() |
Phosphoenolpyruvic acid 138-08-9 |
2-phosphonooxyprop-2-enoic acid |
C3H5O6P 168.042 167.982376 |
||
BMDB00265![]() |
Liothyronine 6893-02-3 |
2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid |
C15H12I3NO4 650.974 650.790039 |
|
|
BMDB00267![]() |
Pyroglutamic acid 98-79-3 |
(2S)-5-oxopyrrolidine-2-carboxylic acid |
C5H7NO3 129.114 129.042587 |
|
|
BMDB00268![]() |
Tetrahydrocorticosterone 68-42-8 |
1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxy-ethanone |
C21H34O4 350.492 350.245697 |
||
BMDB00269![]() |
Sphinganine 764-22-7 |
(2S,3R)-2-amino-1,3-Octadecanediol |
C18H39NO2 301.508 301.298065 |
||
BMDB00271![]() |
Sarcosine 107-97-1 |
2-methylaminoacetic acid |
C3H7NO2 89.093 89.047676 |
|
|
BMDB00272![]() |
Phosphoserine 407-41-0 |
(2S)-2-amino-3-phosphonooxy-propanoic acid |
C3H8NO6P 185.072 185.008926 |
||
BMDB00273![]() |
Thymidine 50-89-5 |
Thymidine |
C10H14N2O5 242.229 242.090271 |
||
BMDB00277![]() |
Sphingosine 1-phosphate 26993-30-6 |
(2-amino-3-hydroxy-octadec-4-enoxy)phosphonic acid |
C18H38NO5P 379.472 379.248749 |
||
BMDB00279![]() |
Saccharopine 997-68-2 |
(2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid |
C11H20N2O6 276.286 276.132141 |
||
BMDB00280![]() |
Phosphoribosyl pyrophosphate 7540-64-9 |
[[(2R,3R,4S,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
C5H13O14P3 390.070 389.951813 |
||
BMDB00283![]() |
D-Ribose 50-69-1 |
(3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol |
C5H10O5 150.130 150.052826 |
|
|
BMDB00285![]() |
Uridine triphosphate 63-39-8 |
[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
C9H15N2O15P3 484.141 483.968536 |
||
BMDB00286![]() |
Uridine diphosphate glucose 133-89-1 |
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl]oxy-phosphinic acid |
C15H24N2O17P2 566.302 566.054993 |
||
BMDB00288![]() |
Uridine 5'-monophosphate 58-97-9 |
5'-Uridylic acid |
C9H13N2O9P 324.181 324.035858 |
|
|
BMDB00289![]() |
Uric acid 69-93-2 |
7,9-dihydro-1H-Purine-2,6,8(3H)-trione |
C5H4N4O3 168.110 168.028336 |
|
|
BMDB00290![]() |
Uridine diphosphate-N-acetylglucosamine 528-04-1 |
[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy |
C17H27N3O17P2 607.354 607.081543 |
||
BMDB00291![]() |
Vanillylmandelic acid 55-10-7 |
(2S)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid |
C9H10O5 198.173 198.052826 |
||
BMDB00292![]() |
Xanthine 69-89-6 |
2,6-dihydroxypurin |
C5H4N4O2 152.111 152.033432 |
|
|
BMDB00293![]() |
Xanthosine 5-triphosphate 6253-56-1 |
Xanthosine 5'-(tetrahydrogen triphosphate) |
C10H15N4O15P3 524.165 523.974670 |
||
BMDB00294![]() |
Urea 57-13-6 |
Urea |
CH4N2O 60.055 60.032364 |
|
|
BMDB00295![]() |
Uridine 5'-diphosphate 58-98-0 |
Uridine 5'-(trihydrogen diphosphate) |
C9H14N2O12P2 404.161 404.002197 |