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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 18:44:41 UTC
Update Date2021-09-26 23:14:14 UTC
HMDB IDHMDB0257706
Secondary Accession NumbersNone
Metabolite Identification
Common NameAmino (2R)-2-amino-3-sulfanylpropanoate
DescriptionAmino (2R)-2-amino-3-sulfanylpropanoate belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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 very few articles have been published on Amino (2R)-2-amino-3-sulfanylpropanoate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Amino (2r)-2-amino-3-sulfanylpropanoate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Amino (2R)-2-amino-3-sulfanylpropanoate 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
Amino (2R)-2-amino-3-sulfanylpropanoic acidGenerator
Amino (2R)-2-amino-3-sulphanylpropanoateGenerator
Amino (2R)-2-amino-3-sulphanylpropanoic acidGenerator
Amino 2-amino-3-sulfanylpropanoic acidHMDB
Amino 2-amino-3-sulphanylpropanoateHMDB
Amino 2-amino-3-sulphanylpropanoic acidHMDB
Chemical FormulaC3H8N2O2S
Average Molecular Weight136.17
Monoisotopic Molecular Weight136.03064868
IUPAC Nameamino 2-amino-3-sulfanylpropanoate
Traditional Nameamino 2-amino-3-sulfanylpropanoate
CAS Registry NumberNot Available
SMILES
NOC(=O)C(N)CS
InChI Identifier
InChI=1S/C3H8N2O2S/c4-2(1-8)3(6)7-5/h2,8H,1,4-5H2
InChI KeyDQVWSORDADQSKN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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 ParentCysteine and derivatives
Alternative Parents
Substituents
  • Cysteine or derivatives
  • Monocarboxylic acid or derivatives
  • Alkylthiol
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Amino (2R)-2-amino-3-sulfanylpropanoate GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9000000000-206bf2bf4bb11bd17cd32021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amino (2R)-2-amino-3-sulfanylpropanoate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID14798091
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound20164839
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. 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 ]