Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:38:58 UTC
HMDB IDHMDB0000175
Secondary Accession Numbers
  • HMDB00175
Metabolite Identification
Common NameInosinic acid
DescriptionInosinic acid, also known as inosine monophosphate, IMP, 5'-inosinate or 5'-IMP, 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. IMP is also classified as a nucleotide (a nucleoside monophosphate). Inosinic acid exists in all living species, ranging from bacteria to plants to humans. IMP is widely used as a flavor enhancer. In the food industry it is known as E number reference E630. Inosinic acid can be converted into various salts including disodium inosinate (E631), dipotassium inosinate (E632), and calcium inosinate (E633). These three inosinate compounds are used as flavor enhancers for the basic taste umami. These inosinate salts are mostly used in soups, sauces, and seasonings for the intensification and balance of the flavor of meat. Inosinic acid is typically obtained from chicken byproducts or other meat industry waste. Inosinic acid or IMP is important in metabolism. It is the ribonucleotide of hypoxanthine and the first nucleotide formed during the synthesis of purine nucleotides. It can also be formed by the deamination of adenosine monophosphate by AMP deaminase. GMP is formed by the inosinate oxidation to xanthylate (XMP). Within humans, inosinic acid participates in a number of enzymatic reactions. In particular, inosinic acid can be converted into phosphoribosyl formamidocarboxamide; which is catalyzed by the bifunctional purine biosynthesis protein. In addition, inosinic acid can be converted into xanthylic acid; which is catalyzed by the enzyme inosine-5'-monophosphate dehydrogenase 1.
Structure
Data?1582752114
Synonyms
ValueSource
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
Chemical FormulaC10H13N4O8P
Average Molecular Weight348.206
Monoisotopic Molecular Weight348.047099924
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
Traditional Nameinosine-5'-monophosphate
CAS Registry Number131-99-7
SMILES
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O
InChI Identifier
InChI=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
Chemical Taxonomy
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
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available171.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00000150
[M+H]+Not Available175.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00000150
Predicted Molecular 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+176.79931661259
DarkChem[M-H]-169.48831661259
AllCCS[M+H]+174.59232859911
AllCCS[M-H]-169.33332859911
DeepCCS[M+H]+159.05630932474
DeepCCS[M-H]-156.6630932474
DeepCCS[M-2H]-190.62130932474
DeepCCS[M+Na]+165.22230932474
AllCCS[M+H]+174.632859911
AllCCS[M+H-H2O]+171.732859911
AllCCS[M+NH4]+177.332859911
AllCCS[M+Na]+178.132859911
AllCCS[M-H]-169.332859911
AllCCS[M+Na-2H]-168.932859911
AllCCS[M+HCOO]-168.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Inosinic acidO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O3950.7Standard polar33892256
Inosinic acidO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O2016.7Standard non polar33892256
Inosinic acidO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O3449.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Inosinic acid,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O2828.4Semi standard non polar33892256
Inosinic acid,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C[NH]C2=O2803.7Semi standard non polar33892256
Inosinic acid,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@H](O)[C@@H]1O2972.8Semi standard non polar33892256
Inosinic acid,1TMS,isomer #4C[Si](C)(C)N1C=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O2958.2Semi standard non polar33892256
Inosinic acid,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C2724.5Semi standard non polar33892256
Inosinic acid,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O2903.1Semi standard non polar33892256
Inosinic acid,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O2890.9Semi standard non polar33892256
Inosinic acid,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O2886.8Semi standard non polar33892256
Inosinic acid,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O2873.1Semi standard non polar33892256
Inosinic acid,2TMS,isomer #6C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C2949.3Semi standard non polar33892256
Inosinic acid,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@H](O)[C@@H]1O3022.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C2862.3Semi standard non polar33892256
Inosinic acid,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C3269.0Standard non polar33892256
Inosinic acid,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C4216.3Standard polar33892256
Inosinic acid,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C2853.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C3314.7Standard non polar33892256
Inosinic acid,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C4596.7Standard polar33892256
Inosinic acid,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O2908.2Semi standard non polar33892256
Inosinic acid,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3259.3Standard non polar33892256
Inosinic acid,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3956.1Standard polar33892256
Inosinic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O2981.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O3255.2Standard non polar33892256
Inosinic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O4280.3Standard polar33892256
Inosinic acid,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O2895.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3265.1Standard non polar33892256
Inosinic acid,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3988.7Standard polar33892256
Inosinic acid,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O2966.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O3256.6Standard non polar33892256
Inosinic acid,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O4298.7Standard polar33892256
Inosinic acid,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3030.7Semi standard non polar33892256
Inosinic acid,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3252.7Standard non polar33892256
Inosinic acid,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4095.2Standard polar33892256
Inosinic acid,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C2909.9Semi standard non polar33892256
Inosinic acid,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C3254.5Standard non polar33892256
Inosinic acid,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C3732.1Standard polar33892256
Inosinic acid,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C2985.7Semi standard non polar33892256
Inosinic acid,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C3229.6Standard non polar33892256
Inosinic acid,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C4023.0Standard polar33892256
Inosinic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O3037.3Semi standard non polar33892256
Inosinic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O3209.9Standard non polar33892256
Inosinic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O3797.1Standard polar33892256
Inosinic acid,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O3025.9Semi standard non polar33892256
Inosinic acid,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O3220.3Standard non polar33892256
Inosinic acid,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O3829.7Standard polar33892256
Inosinic acid,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C3049.1Semi standard non polar33892256
Inosinic acid,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C3176.7Standard non polar33892256
Inosinic acid,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C3634.9Standard polar33892256
Inosinic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3100.0Semi standard non polar33892256
Inosinic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3079.8Semi standard non polar33892256
Inosinic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@H](O)[C@@H]1O3209.9Semi standard non polar33892256
Inosinic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O3232.5Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3232.0Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3340.2Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O3401.4Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3324.6Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O3386.0Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3352.1Semi standard non polar33892256
Inosinic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O3473.8Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3488.2Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3827.2Standard non polar33892256
Inosinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C4327.5Standard polar33892256
Inosinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3555.5Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3902.8Standard non polar33892256
Inosinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C4582.1Standard polar33892256
Inosinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3500.9Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O3787.4Standard non polar33892256
Inosinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O4143.3Standard polar33892256
Inosinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O3632.1Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O3826.8Standard non polar33892256
Inosinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O4360.9Standard polar33892256
Inosinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3488.2Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O3792.1Standard non polar33892256
Inosinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=C[NH]C2=O4175.2Standard polar33892256
Inosinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O3618.9Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O3829.6Standard non polar33892256
Inosinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O4377.5Standard polar33892256
Inosinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3643.2Semi standard non polar33892256
Inosinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3781.2Standard non polar33892256
Inosinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4244.9Standard polar33892256
Inosinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3674.1Semi standard non polar33892256
Inosinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3913.3Standard non polar33892256
Inosinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3999.9Standard polar33892256
Inosinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3795.2Semi standard non polar33892256
Inosinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C3943.0Standard non polar33892256
Inosinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C4149.2Standard polar33892256
Inosinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O3810.8Semi standard non polar33892256
Inosinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O3890.1Standard non polar33892256
Inosinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O4018.2Standard polar33892256
Inosinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O3798.8Semi standard non polar33892256
Inosinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O3897.3Standard non polar33892256
Inosinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O4048.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Inosinic acid GC-MS (5 TMS)splash10-014i-1952000000-fd534f438bc14efb9a2c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Inosinic acid GC-MS (Non-derivatized)splash10-014i-1952000000-fd534f438bc14efb9a2c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Inosinic acid GC-EI-TOF (Non-derivatized)splash10-014i-0952000000-240bf898db7f932db3172017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9703000000-f104482957f10e79ed312017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (2 TMS) - 70eV, Positivesplash10-01ot-9412200000-ce06d9df7a1b1e9f6bf72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosinic acid GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-000i-0900000000-a46a4af4f25c710c773b2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-000i-1900000000-e3960644419fb73668b12012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0fb9-2983200000-58dfb3434545241ee7b62012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-000i-1900000000-d9a723b143b3462908962012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-002b-9203000000-e2ceede282569ac77de52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid LC-ESI-QTOF , negative-QTOFsplash10-002b-9203000000-e2ceede282569ac77de52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid LC-ESI-QTOF , positive-QTOFsplash10-000i-1900000000-d9a723b143b3462908962017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 10V, Negative-QTOFsplash10-0002-2009000000-fd4ac18ae0dd374e6ff52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 20V, Negative-QTOFsplash10-004j-9201000000-349e076b55d7b34813f12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 10V, Positive-QTOFsplash10-000i-0900000000-7d260970c5fd63733d682021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 40V, Positive-QTOFsplash10-000i-1900000000-29a9853c167178a536ca2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 40V, Negative-QTOFsplash10-004i-9200000000-d15c645092c15796fecf2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 35V, Positive-QTOFsplash10-000i-1920000000-cce3d9b2f5486a013f432021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 40V, Positive-QTOFsplash10-000i-1900000000-123dc62f6eec7f2a443a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 20V, Positive-QTOFsplash10-000i-1900000000-74854877c4d899dd1cbf2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 35V, Positive-QTOFsplash10-000i-1910000000-92a97d045ff5a88d7fef2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 20V, Positive-QTOFsplash10-000i-0900000000-780ab0f4378101c42e442021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 20V, Positive-QTOFsplash10-000i-2900000000-ccbd03a9087207ab2a252021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Inosinic acid 10V, Positive-QTOFsplash10-000i-1900000000-69d1aff415931bcc43252021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 10V, Positive-QTOFsplash10-000i-0914000000-12233517e0b50e3354422016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 20V, Positive-QTOFsplash10-000i-0900000000-001099c1a6404d88af4b2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 40V, Positive-QTOFsplash10-01p9-1900000000-3434d7718750395042e32016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 10V, Negative-QTOFsplash10-002k-6709000000-382b74c195ae8ed611272016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 20V, Negative-QTOFsplash10-002r-8900000000-b96f15a308f90974b4442016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosinic acid 40V, Negative-QTOFsplash10-004i-9200000000-15137ad005d3cad1a6032016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Blood
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Feces
Tissue Locations
  • All Tissues
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified63.0 +/- 41.0 uMAdult (>18 years old)BothNormal details
Cellular CytoplasmDetected and Quantified10 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified3.19 (0.00 +/- 19.70) uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cerebrospinal Fluid (CSF)Detected and Quantified2.31(0.00-41.40) uMAdult (>18 years old)BothSimple febrile seizures details
Cerebrospinal Fluid (CSF)Detected and Quantified2.48 (0.00 +/- 27.20) uMAdult (>18 years old)BothComplex febrile seizures details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
Associated Disorders and Diseases
Disease References
Febrile seizures
  1. Rodriguez-Nunez A, Cid E, Rodriguez-Garcia J, Camina F, Rodriguez-Segade S, Castro-Gago M: Cerebrospinal fluid purine metabolite and neuron-specific enolase concentrations after febrile seizures. Brain Dev. 2000 Oct;22(7):427-31. [PubMed:11102727 ]
Crohn's disease
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Associated OMIM IDs
DrugBank IDDB04566
Phenol Explorer Compound IDNot Available
FooDB IDFDB021901
KNApSAcK IDC00007224
Chemspider ID8264
KEGG Compound IDC00130
BioCyc IDIMP
BiGG ID33960
Wikipedia LinkInosinic_acid
METLIN ID5196
PubChem Compound8582
PDB IDNot Available
ChEBI ID17202
Food Biomarker OntologyNot Available
VMH IDIMP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferencePark, Yeong Hun; Cho, Gwang Myeong; Baek, Min Ji; Hong, Guk Gi; Lee, Jin Nam. Method for preparing 5'-inosinic acid by using microbe capable of over-expressing purC gene. Repub. Korea (2007), 7pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
  2. McConell GK, Shinewell J, Stephens TJ, Stathis CG, Canny BJ, Snow RJ: Creatine supplementation reduces muscle inosine monophosphate during endurance exercise in humans. Med Sci Sports Exerc. 2005 Dec;37(12):2054-61. [PubMed:16331129 ]
  3. Castro-Gago M, Cid E, Trabazo S, Pavon P, Camina F, Rodriguez-Segade S, Einis Punal J, Rodriguez-Nunez A: Cerebrospinal fluid purine metabolites and pyrimidine bases after brief febrile convulsions. Epilepsia. 1995 May;36(5):471-4. [PubMed:7614924 ]
  4. Green HJ, Grant SM, Phillips SM, Enns DL, Tarnopolsky MA, Sutton JR: Reduced muscle lactate during prolonged exercise following induced plasma volume expansion. Can J Physiol Pharmacol. 1997 Dec;75(12):1280-6. [PubMed:9534937 ]
  5. Rodriguez-Nunez A, Cid E, Rodriguez-Garcia J, Camina F, Rodriguez-Segade S, Castro-Gago M: Concentrations of nucleotides, nucleosides, purine bases, oxypurines, uric acid, and neuron-specific enolase in the cerebrospinal fluid of children with sepsis. J Child Neurol. 2001 Sep;16(9):704-6. [PubMed:11575617 ]
  6. Pouw EM, Schols AM, van der Vusse GJ, Wouters EF: Elevated inosine monophosphate levels in resting muscle of patients with stable chronic obstructive pulmonary disease. Am J Respir Crit Care Med. 1998 Feb;157(2):453-7. [PubMed:9476857 ]
  7. Allison AC, Eugui EM: Purine metabolism and immunosuppressive effects of mycophenolate mofetil (MMF). Clin Transplant. 1996 Feb;10(1 Pt 2):77-84. [PubMed:8680053 ]
  8. van Hall G, van der Vusse GJ, Soderlund K, Wagenmakers AJ: Deamination of amino acids as a source for ammonia production in human skeletal muscle during prolonged exercise. J Physiol. 1995 Nov 15;489 ( Pt 1):251-61. [PubMed:8583409 ]
  9. McConell G, Snow RJ, Proietto J, Hargreaves M: Muscle metabolism during prolonged exercise in humans: influence of carbohydrate availability. J Appl Physiol (1985). 1999 Sep;87(3):1083-6. [PubMed:10484580 ]
  10. Klupp J, Pfitzmann R, Langrehr JM, Neuhaus P: Indications of mycophenolate mofetil in liver transplantation. Transplantation. 2005 Sep 27;80(1 Suppl):S142-6. [PubMed:16286893 ]
  11. Bangsbo J, Gollnick PD, Graham TE, Juel C, Kiens B, Mizuno M, Saltin B: Anaerobic energy production and O2 deficit-debt relationship during exhaustive exercise in humans. J Physiol. 1990 Mar;422:539-59. [PubMed:2352192 ]
  12. McCauley TG, Hamaguchi N, Stanton M: Aptamer-based biosensor arrays for detection and quantification of biological macromolecules. Anal Biochem. 2003 Aug 15;319(2):244-50. [PubMed:12871718 ]
  13. Rush JW, MacLean DA, Hultman E, Graham TE: Exercise causes branched-chain oxoacid dehydrogenase dephosphorylation but not AMP deaminase binding. J Appl Physiol (1985). 1995 Jun;78(6):2193-200. [PubMed:7665417 ]
  14. McConell GK, Canny BJ, Daddo MC, Nance MJ, Snow RJ: Effect of carbohydrate ingestion on glucose kinetics and muscle metabolism during intense endurance exercise. J Appl Physiol (1985). 2000 Nov;89(5):1690-8. [PubMed:11053315 ]
  15. Swart PJ, Beljaars E, Smit C, Pasma A, Schuitemaker H, Meijer DK: Comparative pharmacokinetic, immunologic and hematologic studies on the anti-HIV-1/2 compounds aconitylated and succinylated HSA. J Drug Target. 1996;4(2):109-16. [PubMed:8894971 ]
  16. Scott GS, Spitsin SV, Kean RB, Mikheeva T, Koprowski H, Hooper DC: Therapeutic intervention in experimental allergic encephalomyelitis by administration of uric acid precursors. Proc Natl Acad Sci U S A. 2002 Dec 10;99(25):16303-8. Epub 2002 Nov 25. [PubMed:12451183 ]

Only showing the first 10 proteins. There are 31 proteins in total.

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Hydrolyzes extracellular nucleotides into membrane permeable nucleosides.
Gene Name:
NT5E
Uniprot ID:
P21589
Molecular weight:
57948.125
Reactions
Inosinic acid + Water → Inosine + Phosphatedetails
General function:
Involved in nucleotide binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides. Helps to regulate adenosine levels (By similarity).
Gene Name:
NT5C1B
Uniprot ID:
Q96P26
Molecular weight:
68803.055
Reactions
Inosinic acid + Water → Inosine + Phosphatedetails
General function:
Involved in nucleotide binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides and has a broad substrate specificity. Helps to regulate adenosine levels in heart during ischemia and hypoxia.
Gene Name:
NT5C1A
Uniprot ID:
Q9BXI3
Molecular weight:
41020.145
Reactions
Inosinic acid + Water → Inosine + Phosphatedetails
General function:
Involved in metal ion binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides, with a preference for dUMP and dTMP, intermediate activity towards dGMP, and low activity towards dCMP and dAMP.
Gene Name:
NT5C
Uniprot ID:
Q8TCD5
Molecular weight:
Not Available
Reactions
Inosinic acid + Water → Inosine + Phosphatedetails
General function:
Involved in phosphatase activity
Specific function:
Dephosphorylates specifically the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP.
Gene Name:
NT5M
Uniprot ID:
Q9NPB1
Molecular weight:
Not Available
Reactions
Inosinic acid + Water → Inosine + Phosphatedetails
General function:
Involved in hydrolase activity
Specific function:
In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:
ENTPD1
Uniprot ID:
P49961
Molecular weight:
58706.0
Reactions
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in calcium ion binding
Specific function:
Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:
CANT1
Uniprot ID:
Q8WVQ1
Molecular weight:
44839.24
Reactions
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in hydrolase activity
Specific function:
Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:
ENTPD3
Uniprot ID:
O75355
Molecular weight:
59104.76
Reactions
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in phosphorylase activity
Specific function:
Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.
Gene Name:
PYGL
Uniprot ID:
P06737
Molecular weight:
93133.25
General function:
Involved in phosphorylase activity
Specific function:
Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.
Gene Name:
PYGM
Uniprot ID:
P11217
Molecular weight:
87316.355

Only showing the first 10 proteins. There are 31 proteins in total.