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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 03:25:31 UTC
Update Date2022-11-23 21:48:33 UTC
HMDB IDHMDB0248960
Secondary Accession NumbersNone
Metabolite Identification
Common NameBenserazide
Descriptionbenserazide, also known as ro 4-4602, belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a small amount of articles have been published on benserazide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Benserazide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Benserazide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
BenserazidaChEBI
BenserazidumChEBI
DL-Serine 2-(2,3,4-trihydroxybenzyl)hydrazideChEBI
DL-Serine 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazideChEBI
Ro 4-4602ChEBI
Ro 44602ChEBI
Seryltrihydroxy benzylhydrazineHMDB
SerazideHMDB
DL-Serine 2-((2,3,4-trihydroxyphenyl)methyl)hydrazideHMDB
Benzylhydrazine, seryltrihydroxyHMDB
SeryltrihydroxybenzylhydrazineHMDB
Chemical FormulaC10H15N3O5
Average Molecular Weight257.246
Monoisotopic Molecular Weight257.101170595
IUPAC Name2-amino-3-hydroxy-N-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazonic acid
Traditional Nameserazide
CAS Registry NumberNot Available
SMILES
NC(CO)C(O)=NNCC1=C(O)C(O)=C(O)C=C1
InChI Identifier
InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
InChI KeyBNQDCRGUHNALGH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentSerine and derivatives
Alternative Parents
Substituents
  • Serine or derivatives
  • 5-unsubstituted pyrrogallol
  • Benzenetriol
  • Pyrogallol derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid hydrazide
  • Polyol
  • Alcohol
  • Primary amine
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB12783
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2237
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBenserazide
METLIN IDNot Available
PubChem Compound2327
PDB IDNot Available
ChEBI ID64187
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]