SynCED ID Name
CAS Number
FormulaStructureSources
CHEM003211D-2-Hydroxyglutaric acid
CAS2889-31-8
C5H8O5
Avg mass148.114
FooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineT3DB toxins
CHEM0032122-Methylacetoacetyl-CoA
CAS6712-01-2
C26H42N7O18P3S
Avg mass865.634
FooDB ChemicalsT3DB toxins
CHEM003213L-Lactic acid
CAS79-33-4
C3H6O3
Avg mass90.078
FooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM0032142-Ethylhydracrylic acid
CAS4374-62-3
C5H10O3
Avg mass118.131
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032152-Methyl-3-hydroxybutyric acid
CAS473-86-9
C5H10O3
Avg mass118.131
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032182-Hydroxyadipic acid
CAS18294-85-4
C6H10O5
Avg mass162.141
FooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineT3DB toxins
CHEM003220Succinyl-CoA
CAS604-98-8
C25H40N7O19P3S
Avg mass867.607
FooDB ChemicalsT3DB toxins
CHEM0032223-Hydroxymethylglutaric acid
CAS503-49-1
C6H10O5
Avg mass162.141
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032233-Hydroxyisovaleric acid
CAS625-08-1
C5H10O3
Avg mass118.131
FooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineT3DB toxins
CHEM0032253-Methylglutaconic acid
CAS5746-90-7
C6H8O4
Avg mass144.125
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032273-Hydroxy-3-methylglutaryl-CoA
CAS1553-55-5
C27H44N7O20P3S
Avg mass911.659
FooDB ChemicalsT3DB toxins
CHEM0032294-Hydroxybutyric acid
CAS591-81-1
C4H8O3
Avg mass104.105
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM003230Pyroglutamic acid
CAS98-79-3
C5H7NO3
Avg mass129.114
FooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003231Gamma-Glutamylcysteine
CAS636-58-8
C8H14N2O5S
Avg mass250.272
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032325-Aminoimidazole-4-carboxamide
CAS360-97-4
C4H6N4O
Avg mass126.117
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0032335-Aminolevulinic acid
CAS106-60-5
C5H9NO3
Avg mass131.130
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM003234Porphobilinogen
CAS487-90-1
C10H14N2O4
Avg mass226.229
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003235Adenosine
CAS58-61-7
C10H13N5O4
Avg mass267.241
Cosmetic ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003236Adenosine triphosphate
CAS56-65-5
C10H16N5O13P3
Avg mass507.181
FooDB ChemicalsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003237ADP
CAS58-64-0
C10H15N5O10P2
Avg mass427.201
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003238Deoxyadenosine triphosphate
CAS1927-31-7
C10H16N5O12P3
Avg mass491.182
FooDB ChemicalsT3DB toxins
CHEM003239Adenine
CAS73-24-5
C5H5N5
Avg mass135.127
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003240Succinyladenosine
CAS4542-23-8
C14H17N5O8
Avg mass383.314
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003241SAICAR
CAS3031-95-6
C13H19N4O12P
Avg mass454.283
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM00324217-Hydroxyprogesterone
CAS68-96-2
C21H30O3
Avg mass330.461
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals