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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-02-04 10:48:44 UTC
Update Date2021-09-14 15:44:40 UTC
HMDB IDHMDB0011681
Secondary Accession Numbers
  • HMDB11681
Metabolite Identification
Common NameInosine 2'-phosphate
DescriptionInosine 2'-phosphate is an inosine nucleotide containing a pyrophosphate group esterified to C2 of the sugar moiety. Inosine 2'-phosphate is a product of 2',3'-cyclic-nucleotide 3'-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2',3'-cyclic phosphate + H2O <-> nucleoside 2'-phosphate. 2',3'-cyclic nucleotide 3'-phosphodiesterase is a myelin-associated enzyme that makes up 4% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration.
Structure
Data?1582752938
Synonyms
ValueSource
Inosine 2'-phosphoric acidGenerator
2' Inosine monophosphateHMDB
2'-IMPHMDB
Inosine 2'-monophosphateHMDB
{[(2R,3R,4R,5R)-4-hydroxy-2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonateGenerator, HMDB
Chemical FormulaC10H13N4O8P
Average Molecular Weight348.206
Monoisotopic Molecular Weight348.047099924
IUPAC Name{[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-3-yl]oxy}phosphonic acid
Traditional Name[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl]oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O
InChI Identifier
InChI=1S/C10H13N4O8P/c15-1-4-6(16)7(22-23(18,19)20)10(21-4)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 KeyPGZVUSPTYXQADT-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Pyrimidone
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Primary alcohol
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot 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 PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.23 g/LALOGPS
logP-1.5ALOGPS
logP-3.9ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)0.68ChemAxon
pKa (Strongest Basic)2.74ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area175.73 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity71.77 m³·mol⁻¹ChemAxon
Polarizability28.69 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]+176.21831661259
DarkChem[M-H]-168.61731661259
DeepCCS[M+H]+155.26130932474
DeepCCS[M-H]-152.86530932474
DeepCCS[M-2H]-187.46930932474
DeepCCS[M+Na]+161.85130932474
AllCCS[M+H]+174.632859911
AllCCS[M+H-H2O]+171.632859911
AllCCS[M+NH4]+177.532859911
AllCCS[M+Na]+178.332859911
AllCCS[M-H]-168.132859911
AllCCS[M+Na-2H]-167.632859911
AllCCS[M+HCOO]-167.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Inosine 2'-phosphateOC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O3720.3Standard polar33892256
Inosine 2'-phosphateOC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O2171.6Standard non polar33892256
Inosine 2'-phosphateOC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O3494.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Inosine 2'-phosphate,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O2900.1Semi standard non polar33892256
Inosine 2'-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O)O2904.8Semi standard non polar33892256
Inosine 2'-phosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1[NH]C=NC2=O2954.0Semi standard non polar33892256
Inosine 2'-phosphate,1TMS,isomer #4C[Si](C)(C)N1C=NC(=O)C2=C1N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O)C=N22977.2Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C2805.3Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O2891.5Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O2948.2Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C2899.4Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O2946.6Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1[NH]C=NC2=O)O[Si](C)(C)C2925.7Semi standard non polar33892256
Inosine 2'-phosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C)C=NC2=O3042.4Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2858.1Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3249.7Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4181.7Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C2909.8Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C3304.6Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C4474.1Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O2881.7Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O3273.5Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O3998.6Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O3009.4Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O3294.2Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O4261.6Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2900.8Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3250.4Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3941.2Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C3007.9Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C3263.3Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C4209.2Standard polar33892256
Inosine 2'-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C)C=NC2=O)O[Si](C)(C)C3057.8Semi standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C)C=NC2=O)O[Si](C)(C)C3283.5Standard non polar33892256
Inosine 2'-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C)C=NC2=O)O[Si](C)(C)C4009.7Standard polar33892256
Inosine 2'-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2896.2Semi standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3246.3Standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3738.9Standard polar33892256
Inosine 2'-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3005.7Semi standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3237.9Standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3969.6Standard polar33892256
Inosine 2'-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O3033.1Semi standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O3261.4Standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O3822.6Standard polar33892256
Inosine 2'-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3047.8Semi standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3244.3Standard non polar33892256
Inosine 2'-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3771.3Standard polar33892256
Inosine 2'-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3047.9Semi standard non polar33892256
Inosine 2'-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3193.2Standard non polar33892256
Inosine 2'-phosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3620.4Standard polar33892256
Inosine 2'-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O3129.9Semi standard non polar33892256
Inosine 2'-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O)O3127.1Semi standard non polar33892256
Inosine 2'-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1[NH]C=NC2=O3184.1Semi standard non polar33892256
Inosine 2'-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O)C=N23246.3Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C3268.8Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O3320.8Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O3405.7Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3319.1Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O3414.5Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1[NH]C=NC2=O)O[Si](C)(C)C(C)(C)C3321.7Semi standard non polar33892256
Inosine 2'-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C=NC2=O3473.7Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3464.7Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3790.2Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4311.8Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C3556.5Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C3856.0Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C4485.1Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O3462.3Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O3779.7Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O4193.3Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O3610.9Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O3805.6Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O4355.4Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3454.8Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3771.8Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4136.2Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3609.4Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3790.8Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C4298.4Standard polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C=NC2=O)O[Si](C)(C)C(C)(C)C3627.0Semi standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C=NC2=O)O[Si](C)(C)C(C)(C)C3773.6Standard non polar33892256
Inosine 2'-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N([Si](C)(C)C(C)(C)C)C=NC2=O)O[Si](C)(C)C(C)(C)C4170.7Standard polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3628.8Semi standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3884.8Standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4018.0Standard polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3739.5Semi standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3885.5Standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4111.3Standard polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O3762.5Semi standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O3865.9Standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O4041.5Standard polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3757.8Semi standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3858.4Standard non polar33892256
Inosine 2'-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3991.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Inosine 2'-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9221000000-448324565a6c1ff340a62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosine 2'-phosphate GC-MS (2 TMS) - 70eV, Positivesplash10-0ufs-4903200000-f968c19bdc9c5807c2042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Inosine 2'-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 10V, Positive-QTOFsplash10-000i-0942000000-6a8f06f58b76bca3e9e62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 20V, Positive-QTOFsplash10-000i-0900000000-b10cdaaec76292ecbcc72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 40V, Positive-QTOFsplash10-000i-0900000000-60afdd8ede3562ae285a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 10V, Negative-QTOFsplash10-002k-4409000000-b0898bd9544b4f5515a42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 20V, Negative-QTOFsplash10-000i-3900000000-e421c934043f17d9af242017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 40V, Negative-QTOFsplash10-004i-9500000000-4e25b1c6be4179466d8f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 10V, Negative-QTOFsplash10-0002-0009000000-b92f1a2b3bb0acc24c6a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 20V, Negative-QTOFsplash10-004j-5329000000-e18b3a2d23bc4bd09aef2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 40V, Negative-QTOFsplash10-0550-4910000000-22d754a849beef9e9c4a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 10V, Positive-QTOFsplash10-000i-0900000000-b2e36fb98660834d7d242021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 20V, Positive-QTOFsplash10-000i-0900000000-f004b42a85ee640438a22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inosine 2'-phosphate 40V, Positive-QTOFsplash10-000i-4900000000-13af651e17e17a9c33152021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028369
KNApSAcK IDNot Available
Chemspider ID18556963
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18601915
PDB IDNot Available
ChEBI ID144835
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 ReferencesNot Available

Enzymes

General function:
Involved in 2',3'-cyclic-nucleotide 3'-phosphodiesterase activity
Specific function:
May participate in RNA metabolism in the myelinating cell, CNP is the third most abundant protein in central nervous system myelin (By similarity).
Gene Name:
CNP
Uniprot ID:
P09543
Molecular weight:
47578.22