S-ribosyl-L-homocysteine (PAMDB120356)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120356
Identification
Name: S-ribosyl-L-homocysteine
Description:23 June 2016
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • S-Ribosylhomocysteine
  • Ribose-5-S-homocysteine
  • S-D-ribosyl-L-homocysteine
  • Ribose-5-S-homocysteine
  • S-ribosylhomocysteine
  • S-(5-deoxy-D-ribos-5-yl)-L-homocysteine
Chemical Formula: C9H17NO6S
Average Molecular Weight: 267.296
Monoisotopic Molecular Weight: 268.08548
InChI Key: IQFWYNFDWRYSRA-OEQWSMLSSA-N
InChI:InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1
CAS number: Not Available
IUPAC Name:S-(5-deoxy-D-ribofuranos-5-yl)-L-homocysteine
Traditional IUPAC Name: Not Available
SMILES:C(CC([N+])C(=O)[O-])SCC1(OC(O)C(O)C(O)1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentoses
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Pentose monosaccharide
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Thia fatty acid
  • Fatty acyl
  • Fatty acid
  • Tetrahydrofuran
  • 1,2-diol
  • Carboxylic acid salt
  • Hemiacetal
  • Secondary alcohol
  • Dialkylthioether
  • Sulfenyl compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Thioether
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organosulfur compound
  • Hydrocarbon derivative
  • Organic zwitterion
  • Organic nitrogen compound
  • Alcohol
  • Organic salt
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight267.296 g/molPubChem
XLogP3-AA-3.8 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count5 PubChem
Exact Mass267.078 g/molPubChem
Monoisotopic Mass267.078 g/molPubChem
Topological Polar Surface Area163 A^2PubChem
Heavy Atom Count17 PubChem
Formal Charge0 PubChem
Complexity260 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count5 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
S-ribosyl-L-homocysteine → L-Homocysteine + (S)-4,5-dihydroxypentan-2,3-dione
S-Adenosylhomocysteine + Water → S-ribosyl-L-homocysteine + Adenine
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI8968
BIGG42044
PUBCHEM25245776
CAS37558-16-0
LIGAND-CPDC03539