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Inosine (PC000019)

Record Information
Version1.0
Creation date2015-10-09 22:27:23 UTC
Update date2017-01-19 02:36:10 UTC
FoodComEx IDPC000019
FoodDB RecordFDB011802
Chemical Information
NameInosine
DescriptionPresent in meat extracts and sugar beet A purine nucleoside that has hypoxanthine linked by the N9 nitrogen to the C1 carbon of ribose. Inosine is found in many foods, some of which are kelp, quinoa, yellow pond-lily, and apple.
CAS Number58-63-9
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(-)-InosineHMDB
1,9-dihydro-9-b-D-Ribofuranosyl-6H-purin-6-oneHMDB
1,9-Dihydro-9-b-D-ribofuranosyl-6H-purin-6-one, 9CIdb_source
1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-onebiospider
1,9-dihydro-9-beta-delta-Ribofuranosyl-6H-purin-6-oneHMDB
9-b-D-Ribofuranosyl-9H-purin-6-olGenerator
9-b-D-ribofuranosyl-Hypoxanthinebiospider
9-b-D-RibofuranosylhypoxanthineGenerator
9-b-D-Ribofuranosylhypoxanthine, 8CIdb_source
9-beta-D-ribofuranosyl-9H-purin-6-olbiospider
9-beta-D-ribofuranosyl-Hypoxanthinebiospider
9-beta-D-Ribofuranosylhypoxanthinebiospider
9-beta-delta-Ribofuranosyl-hypoxanthineHMDB
9-beta-delta-RibofuranosylhypoxanthineHMDB
9-β-D-ribofuranosyl-9H-purin-6-olGenerator
9-β-D-ribofuranosylhypoxanthineGenerator
9beta-D-Ribofuranosylhypoxanthinebiospider
9beta-delta-RibofuranosylhypoxanthineHMDB
Aminosin?db_source
Atorelbiospider
beta-D-Ribofuranoside hypoxanthine-9biospider
beta-delta-Ribofuranoside hypoxanthine-9HMDB
beta-InosineHMDB
Carninedb_source
Delimmundb_source
HXRHMDB
Hypoxanthine 9-beta-D-ribofuranosidebiospider
Hypoxanthine 9-beta-delta-ribofuranosideHMDB
Hypoxanthine d-ribosidebiospider
Hypoxanthine nucleosideHMDB
Hypoxanthine ribonucleosidebiospider
Hypoxanthine ribosidedb_source
Hypoxanthine-9 beta-D-ribofuranosideHMDB
Hypoxanthine-9 beta-delta-ribofuranosideHMDB
Hypoxanthine-9-beta-D-ribofuranosidebiospider
Hypoxanthine-9-beta-delta-ribofuranosideHMDB
Hypoxanthine-9-D-ribofuranosidebiospider
Hypoxanthine-9-delta-ribofuranosideHMDB
Hypoxanthine-riboseHMDB
Hypoxanthosinedb_source
iChEBI
Indole-3-carboxaldehydeHMDB
InoHMDB
Inosiedb_source
Inosinbiospider
InosinaChEBI
Inosine (8CI,9CI)biospider
InosinumChEBI
Inotin (TN)biospider
Iso-prinosineHMDB
Oxiaminbiospider
Oxiaminedb_source
Panholic-LHMDB
Pantholic-LHMDB
Ribonosinebiospider
Riboxinebiospider
Selferbiospider
Trophicardyldb_source
Chemical FormulaC30H36N12O15
IUPAC nametris(2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol)
InChI IdentifierInChI=1S/3C10H12N4O5/c3*15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h3*2-4,6-7,10,15-17H,1H2,(H,11,12,18)
InChI KeyNAZZGEPJWLXKQI-UHFFFAOYSA-N
Isomeric SMILESOCC1OC(C(O)C1O)N1C=NC2=C1NC=NC2=O.OCC1OC(C(O)C1O)N1C=NC2=C1N=CNC2=O.OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2O
Average Molecular Weight804.6782
Monoisotopic Molecular Weight804.242308542
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleosides
Sub ClassNot Available
Direct ParentPurine nucleosides
Alternative Parents
Substituents
  • Purine nucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Purinone
  • Imidazopyrimidine
  • Purine
  • Pyrimidone
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-2.10HANSCH,C ET AL. (1995)
Experimental Water Solubility15.8 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 215° dec.DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci C812
AKSci J10406
AKSci J92121
Glentham GE4681
MetaSci HMDB0000195
Sigma-Aldrich HMDB0000195
Toronto Research Chemicals I661000