Record Information
Version1.0
Creation date2011-09-21 00:04:52 UTC
Update date2018-05-29 01:52:42 UTC
Primary IDFDB021901
Secondary Accession Numbers
  • FDB030916
Chemical Information
FooDB NameInosinic acid
DescriptionA purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. Inosinic acid is a nucleotide present in muscle and other tissues. It is formed by the deamination of AMP and when hydrolysed produces inosine. Inosinic acid is the ribonucleotide of hypoxanthine and is the first compound formed during the synthesis of purine. [HMDB]. Inosinic acid is found in many foods, some of which are salmonberry, moth bean, common mushroom, and oval-leaf huckleberry.
CAS Number131-99-7
Structure
Thumb
Synonyms
SynonymSource
2'-Inosine-5'-monophosphateChEBI
5'-IMPChEBI
5'-InosinateChEBI
5'-Inosine monophosphateChEBI
5'-Inosinic acidChEBI
Hypoxanthosine 5'-monophosphateChEBI
Inosine 5'-monophosphateChEBI
Inosine 5'-phosphateChEBI
Inosine monophosphateChEBI
Ribosylhypoxanthine monophosphateChEBI
2'-Inosine-5'-monophosphoric acidGenerator
5'-Inosine monophosphoric acidGenerator
Hypoxanthosine 5'-monophosphoric acidGenerator
Inosine 5'-monophosphoric acidGenerator
Inosine 5'-phosphoric acidGenerator
Inosine monophosphoric acidGenerator
Ribosylhypoxanthine monophosphoric acidGenerator
InosinateGenerator
IMPHMDB
Inosine-5'-monophosphateHMDB
Inosinic acidsHMDB
Inosinate, sodiumHMDB
monoPhosphate, inosineHMDB
monoPhosphate, ribosylhypoxanthineHMDB
Sodium inosinateHMDB
Acid, inosinicHMDB
Acids, inosinicHMDB
2'-Inosine-5'-monoateChEBI
2'-Inosine-5'-monoic acidGenerator
5'-Inosine monoateChEBI
5'-Inosine monoic acidGenerator
Hypoxanthosine 5'-monoateChEBI
Hypoxanthosine 5'-monoic acidGenerator
Inosine 5'-ateChEBI
Inosine 5'-ic acidGenerator
Inosine 5'-monoateChEBI
Inosine 5'-monoic acidGenerator
Inosine monoateChEBI
Inosine monoic acidGenerator
Inosine Monophosphatehmdb
Inosine-5'-monoateHMDB
Ribosylhypoxanthine monoateChEBI
Ribosylhypoxanthine monoic acidGenerator
Predicted Properties
PropertyValueSource
Water Solubility3.05 g/LALOGPS
logP-2ALOGPS
logP-2.9ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)0.49ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area175.73 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity72.2 m³·mol⁻¹ChemAxon
Polarizability29.14 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC10H13N4O8P
IUPAC name{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
InChI IdentifierInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI KeyGRSZFWQUAKGDAV-KQYNXXCUSA-N
Isomeric SMILESO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O
Average Molecular Weight348.206
Monoisotopic Molecular Weight348.047099924
Classification
Description belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside monophosphates
Alternative Parents
Substituents
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Pyrimidone
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Pyrimidine
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • N-substituted imidazole
  • Monosaccharide
  • Tetrahydrofuran
  • Vinylogous amide
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Lactam
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider ID8264
ChEMBL IDCHEMBL1207374
KEGG Compound IDC00130
Pubchem Compound ID8582
Pubchem Substance IDNot Available
ChEBI ID17202
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00175
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID33960
KNApSAcK IDNot Available
HET IDIMP
Flavornet IDNot Available
GoodScent IDrw1608901
SuperScent IDNot Available
Wikipedia IDInosinic acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Glycogen phosphorylase, liver formPYGLP06737
Glycogen phosphorylase, muscle formPYGMP11217
Glycogen phosphorylase, brain formPYGBP11216
Cytosolic 5'-nucleotidase 3NT5C3Q9H0P0
AMP deaminase 3AMPD3Q01432
AMP deaminase 2AMPD2Q01433
AMP deaminase 1AMPD1P23109
GMP reductase 2GMPR2Q9P2T1
GMP reductase 1GMPRP36959
ENTPD4 proteinENTPD4Q8NE73
Bifunctional purine biosynthesis protein PURHATICP31939
Inosine-5'-monophosphate dehydrogenaseIMPDH1A4D0Z6
Pathways
NameSMPDB LinkKEGG Link
Purine MetabolismSMP00050 map00230
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference