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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2019-07-16 17:55:49 UTC
Update Date2022-03-07 03:18:16 UTC
HMDB IDHMDB0240380
Secondary Accession NumbersNone
Metabolite Identification
Common NameHHPAA sulfate
DescriptionHHPAA sulfate, also known as hhpaa sulphate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Based on a literature review very few articles have been published on HHPAA sulfate.
Structure
Thumb
Synonyms
ValueSource
HHPAA sulfuric acidGenerator
HHPAA sulphateGenerator
HHPAA sulphuric acidGenerator
2-Hydroxy-N-[2-(sulfooxy)phenyl]ethanimidateHMDB
2-Hydroxy-N-[2-(sulphooxy)phenyl]ethanimidateHMDB
2-Hydroxy-N-[2-(sulphooxy)phenyl]ethanimidic acidHMDB
2-Hydroxy-N-(2-hydroxyphenyl)acetamide sulfateHMDB
HHPAA sulfateHMDB
Chemical FormulaC8H9NO6S
Average Molecular Weight247.22
Monoisotopic Molecular Weight247.015058188
IUPAC Name[2-(2-hydroxyacetamido)phenyl]oxidanesulfonic acid
Traditional Name[2-(2-hydroxyacetamido)phenyl]oxidanesulfonic acid
CAS Registry NumberNot Available
SMILES
OCC(=O)NC1=CC=CC=C1OS(O)(=O)=O
InChI Identifier
InChI=1S/C8H9NO6S/c10-5-8(11)9-6-3-1-2-4-7(6)15-16(12,13)14/h1-4,10H,5H2,(H,9,11)(H,12,13,14)
InChI KeyDJBPGIGCPUYIGS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic sulfuric acids and derivatives
Sub ClassArylsulfates
Direct ParentPhenylsulfates
Alternative Parents
Substituents
  • Phenylsulfate
  • Phenoxy compound
  • Monocyclic benzene moiety
  • Sulfuric acid monoester
  • Benzenoid
  • Sulfuric acid ester
  • Sulfate-ester
  • Carboximidic acid
  • Carboximidic acid derivative
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
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
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound156960853
PDB IDNot Available
ChEBI IDNot Available
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. Hanhineva K, Keski-Rahkonen P, Lappi J, Katina K, Pekkinen J, Savolainen O, Timonen O, Paananen J, Mykkanen H, Poutanen K: The postprandial plasma rye fingerprint includes benzoxazinoid-derived phenylacetamide sulfates. J Nutr. 2014 Jul;144(7):1016-22. doi: 10.3945/jn.113.187237. Epub 2014 May 8. [PubMed:24812068 ]
  2. Koistinen VM (2019). Effects of Food Processing and Gut Microbial Metabolism on Whole Grain Phytochemicals: A Metabolomics Approach. In Publications of the University of Eastern Finland. Dissertations in Health Sciences., no 510 (pp. 26-58). University of Eastern Finland. [ISBN:978-952-61-3088-0 ]