SynCED ID Name
CAS Number
FormulaStructureSources
CHEM003327L-Serine
CAS56-45-1
C3H7NO3
Avg mass105.093
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM003328L-Threonine
CAS72-19-5
C4H9NO3
Avg mass119.119
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003329L-Tryptophan
CAS73-22-3
C11H12N2O2
Avg mass204.225
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003330L-Valine
CAS72-18-4
C5H11NO2
Avg mass117.146
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM003331L-Tyrosine
CAS60-18-4
C9H11NO3
Avg mass181.189
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003332Hawkinsin
CAS63224-90-8
C11H17NO6S
Avg mass291.321
FooDB ChemicalsT3DB toxins
CHEM003335Vanillactic acid
CAS2475-56-1
C10H12O5
Avg mass212.199
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0033364-Hydroxyphenylpyruvic acid
CAS156-39-8
C9H8O4
Avg mass180.157
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003337Histamine
CAS51-45-6
C5H9N3
Avg mass111.145
Disinfection ByproductsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM003338Imidazoleacetic acid
CAS645-65-8
C5H6N2O2
Avg mass126.113
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0033401-Methylhistamine
CAS501-75-7
C6H11N3
Avg mass125.172
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003343Pectenotoxin 2
CAS97564-91-5
C47H70O14
Avg mass859.050
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM003347Goniodomin A
CAS112923-40-7
C43H60O12
Avg mass768.929
T3DB toxins
CHEM003348CTX 3C
CAS148471-85-6
C57H82O16
Avg mass1023.251
T3DB toxins
CHEM003349Caribbean ciguatoxin 1
CASNot Available
C62H92O19
Avg mass1141.383
T3DB toxins
CHEM003352Brevetoxin B1
CASNot Available
C52H75NO17S
Avg mass1018.213
T3DB toxins
CHEM003354Ostreocin D
CASNot Available
C127H219N3O53
Avg mass2636.086
T3DB toxins
CHEM00335727-Hydroxycholesterol
CAS20380-11-4
C27H46O2
Avg mass402.653
FooDB ChemicalsT3DB toxins
CHEM003358Saccharopine
CAS997-68-2
C11H20N2O6
Avg mass276.286
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003360Sepiapterin
CAS17094-01-8
C9H11N5O3
Avg mass237.215
FooDB ChemicalsT3DB toxins
CHEM0033633-Mercaptolactate-cysteine disulfide
CAS18841-42-4
C6H11NO5S2
Avg mass241.285
FooDB ChemicalsT3DB toxins
CHEM003364Methylmalonic acid
CAS516-05-2
C4H6O4
Avg mass118.088
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003365Calcium
CAS7440-70-2
Ca
Avg mass40.078
FooDB ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsT3DB toxins
CHEM003366O-Phosphoethanolamine
CAS1071-23-4
C2H8NO4P
Avg mass141.063
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM003367Pyridoxal 5'-phosphate
CAS54-47-7
C8H10NO6P
Avg mass247.142
FooDB ChemicalsT3DB toxins