Hmdb loader
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
StatusExpected but not Quantified
Creation Date2006-08-12 23:20:00 UTC
Update Date2021-09-14 15:40:09 UTC
HMDB IDHMDB0003536
Secondary Accession Numbers
  • HMDB03536
Metabolite Identification
Common NamedIDP
DescriptiondIDP belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. dIDP is a moderately basic compound (based on its pKa). dIDP exists in all living organisms, ranging from bacteria to humans. A deoxyinosine phosphate compound having a diphosphate group at the 5'-position.
Structure
Data?1582752280
Synonyms
ValueSource
2'-Deoxyinosine 5'-diphosphateChEBI
2'-Deoxyinosine-5'-diphosphateKegg
2'-Deoxyinosine 5'-diphosphoric acidGenerator
2'-Deoxyinosine-5'-diphosphoric acidGenerator
DIDPChEBI
Chemical FormulaC10H14N4O10P2
Average Molecular Weight412.1865
Monoisotopic Molecular Weight412.018515712
IUPAC Name{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Traditional Name2'-deoxyinosine
CAS Registry Number26575-15-5
SMILES
O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O
InChI Identifier
InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChI KeyBKUSIKGSPSFQAC-RRKCRQDMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine deoxyribonucleotides
Direct ParentPurine 2'-deoxyribonucleoside diphosphates
Alternative Parents
Substituents
  • Purine 2'-deoxyribonucleoside diphosphate
  • 6-oxopurine
  • Hypoxanthine
  • Organic pyrophosphate
  • Imidazopyrimidine
  • Purine
  • Pyrimidone
  • Monoalkyl phosphate
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Azole
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Imidazole
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Hydrocarbon derivative
  • Alcohol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-45.6 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.00028 mg/mL at 25 °CNot Available
LogP9.444Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.62 g/LALOGPS
logP10(-1) g/LALOGPS
logP10(-2.7) g/LChemAxon
logS10(-2.1) g/LALOGPS
pKa (Strongest Acidic)1.73ChemAxon
pKa (Strongest Basic)2.67ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area202.03 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity81.13 m³·mol⁻¹ChemAxon
Polarizability33.01 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+188.76831661259
DarkChem[M-H]-181.49331661259
DeepCCS[M+H]+161.29830932474
DeepCCS[M-H]-158.96430932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
dIDP,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3285.8Semi standard non polar33892256
dIDP,1TMS,isomer #2C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)O3325.3Semi standard non polar33892256
dIDP,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3295.5Semi standard non polar33892256
dIDP,1TMS,isomer #4C[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O1)C=N23349.3Semi standard non polar33892256
dIDP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O3233.3Semi standard non polar33892256
dIDP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O3573.5Standard non polar33892256
dIDP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O5224.9Standard polar33892256
dIDP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C3228.2Semi standard non polar33892256
dIDP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C3581.8Standard non polar33892256
dIDP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C5274.1Standard polar33892256
dIDP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3309.9Semi standard non polar33892256
dIDP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3566.6Standard non polar33892256
dIDP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O5595.2Standard polar33892256
dIDP,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3249.3Semi standard non polar33892256
dIDP,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3640.1Standard non polar33892256
dIDP,2TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4933.2Standard polar33892256
dIDP,2TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O3353.9Semi standard non polar33892256
dIDP,2TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O3629.3Standard non polar33892256
dIDP,2TMS,isomer #5C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O5254.3Standard polar33892256
dIDP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3252.0Semi standard non polar33892256
dIDP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3627.6Standard non polar33892256
dIDP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4983.5Standard polar33892256
dIDP,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3338.1Semi standard non polar33892256
dIDP,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3634.4Standard non polar33892256
dIDP,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O5297.6Standard polar33892256
dIDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3210.7Semi standard non polar33892256
dIDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3603.9Standard non polar33892256
dIDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4692.4Standard polar33892256
dIDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O3303.8Semi standard non polar33892256
dIDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O3608.6Standard non polar33892256
dIDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O4971.6Standard polar33892256
dIDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3209.7Semi standard non polar33892256
dIDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3589.9Standard non polar33892256
dIDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4708.7Standard polar33892256
dIDP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C3308.4Semi standard non polar33892256
dIDP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C3609.6Standard non polar33892256
dIDP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C5032.0Standard polar33892256
dIDP,3TMS,isomer #5C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3232.1Semi standard non polar33892256
dIDP,3TMS,isomer #5C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3634.9Standard non polar33892256
dIDP,3TMS,isomer #5C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4413.1Standard polar33892256
dIDP,3TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3339.0Semi standard non polar33892256
dIDP,3TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3654.5Standard non polar33892256
dIDP,3TMS,isomer #6C[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4743.5Standard polar33892256
dIDP,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3347.5Semi standard non polar33892256
dIDP,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3642.9Standard non polar33892256
dIDP,3TMS,isomer #7C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O4757.9Standard polar33892256
dIDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3224.7Semi standard non polar33892256
dIDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3590.7Standard non polar33892256
dIDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4202.8Standard polar33892256
dIDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3335.2Semi standard non polar33892256
dIDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3585.7Standard non polar33892256
dIDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4536.1Standard polar33892256
dIDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3338.9Semi standard non polar33892256
dIDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3567.5Standard non polar33892256
dIDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4534.7Standard polar33892256
dIDP,4TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3365.2Semi standard non polar33892256
dIDP,4TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3616.6Standard non polar33892256
dIDP,4TMS,isomer #4C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4280.5Standard polar33892256
dIDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3366.3Semi standard non polar33892256
dIDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3522.0Standard non polar33892256
dIDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4092.8Standard polar33892256
dIDP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3489.6Semi standard non polar33892256
dIDP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)O3537.6Semi standard non polar33892256
dIDP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3526.7Semi standard non polar33892256
dIDP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O1)C=N23614.7Semi standard non polar33892256
dIDP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3633.3Semi standard non polar33892256
dIDP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3962.7Standard non polar33892256
dIDP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5275.3Standard polar33892256
dIDP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3616.3Semi standard non polar33892256
dIDP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3968.2Standard non polar33892256
dIDP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C5325.7Standard polar33892256
dIDP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3758.3Semi standard non polar33892256
dIDP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O3961.9Standard non polar33892256
dIDP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O5508.6Standard polar33892256
dIDP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3641.9Semi standard non polar33892256
dIDP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3976.0Standard non polar33892256
dIDP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5074.6Standard polar33892256
dIDP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O3792.9Semi standard non polar33892256
dIDP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O3985.2Standard non polar33892256
dIDP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)O5293.4Standard polar33892256
dIDP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3651.9Semi standard non polar33892256
dIDP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3953.9Standard non polar33892256
dIDP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5107.0Standard polar33892256
dIDP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O3789.7Semi standard non polar33892256
dIDP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O3993.1Standard non polar33892256
dIDP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O5337.3Standard polar33892256
dIDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C3778.3Semi standard non polar33892256
dIDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4140.6Standard non polar33892256
dIDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4824.7Standard polar33892256
dIDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3916.3Semi standard non polar33892256
dIDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4143.5Standard non polar33892256
dIDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5049.6Standard polar33892256
dIDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3782.7Semi standard non polar33892256
dIDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4117.4Standard non polar33892256
dIDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4847.1Standard polar33892256
dIDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3910.4Semi standard non polar33892256
dIDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4150.1Standard non polar33892256
dIDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C5106.8Standard polar33892256
dIDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3804.5Semi standard non polar33892256
dIDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4127.6Standard non polar33892256
dIDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4589.9Standard polar33892256
dIDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3941.7Semi standard non polar33892256
dIDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4172.7Standard non polar33892256
dIDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4857.9Standard polar33892256
dIDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O3950.0Semi standard non polar33892256
dIDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4150.0Standard non polar33892256
dIDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4877.6Standard polar33892256
dIDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3957.9Semi standard non polar33892256
dIDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4190.9Standard non polar33892256
dIDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4407.1Standard polar33892256
dIDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4078.4Semi standard non polar33892256
dIDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4205.1Standard non polar33892256
dIDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4637.6Standard polar33892256
dIDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4078.3Semi standard non polar33892256
dIDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4173.2Standard non polar33892256
dIDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1CO[P@](=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4647.0Standard polar33892256
dIDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4107.2Semi standard non polar33892256
dIDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4211.8Standard non polar33892256
dIDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4440.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (Non-derivatized) - 70eV, Positivesplash10-002g-6912000000-07b57ba4fa4eb196ef352017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (1 TMS) - 70eV, Positivesplash10-004m-7912200000-68086875341dd8490f7f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dIDP GC-MS ("dIDP,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 10V, Positive-QTOFsplash10-000i-0901000000-c25470a2b6dd89f05ad92015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 20V, Positive-QTOFsplash10-000i-0900000000-3d9499d9e41944d634b92015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 40V, Positive-QTOFsplash10-000i-1900000000-525473dc438b57d3a43d2015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 10V, Negative-QTOFsplash10-03di-0604900000-ed1ddaa7f42a929a87c72015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 20V, Negative-QTOFsplash10-004r-6900000000-30a416b7228b3caa2d1b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 40V, Negative-QTOFsplash10-004i-9100000000-2f4d7cdfeca6c7bfc50c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 10V, Negative-QTOFsplash10-03di-0002900000-5bd208fa393222da320c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 20V, Negative-QTOFsplash10-004i-9100200000-9e3b234b79a12681e5482021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 40V, Negative-QTOFsplash10-004i-9000000000-83a9083772d3cf547f0c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 10V, Positive-QTOFsplash10-000i-0900100000-c91e0c87a55c16b12e0c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 20V, Positive-QTOFsplash10-000i-0900000000-b2e36fb98660834d7d242021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dIDP 40V, Positive-QTOFsplash10-000i-0911000000-6110de2395388465a9fd2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane (predicted from logP)
  • Mitochondria
  • Nucleus
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 IDFDB023189
KNApSAcK IDNot Available
Chemspider ID388586
KEGG Compound IDC01344
BioCyc IDNot Available
BiGG ID37395
Wikipedia LinkDID
METLIN IDNot Available
PubChem Compound439488
PDB IDNot Available
ChEBI ID28823
Food Biomarker OntologyNot Available
VMH IDDIDP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Chantin C, Bonin B, Boulieu R, Bory C: Liquid-chromatographic study of purine metabolism abnormalities in purine nucleoside phosphorylase deficiency. Clin Chem. 1996 Feb;42(2):326-8. [PubMed:8595732 ]

Enzymes

General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:
NME4
Uniprot ID:
O00746
Molecular weight:
20658.45
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:
NME1
Uniprot ID:
P15531
Molecular weight:
17148.635
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:
NME7
Uniprot ID:
Q9Y5B8
Molecular weight:
42491.365
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:
NME2
Uniprot ID:
P22392
Molecular weight:
30136.92
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Probably has a role in normal hematopoiesis by inhibition of granulocyte differentiation and induction of apoptosis.
Gene Name:
NME3
Uniprot ID:
Q13232
Molecular weight:
19014.85
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Inhibitor of p53-induced apoptosis.
Gene Name:
NME6
Uniprot ID:
O75414
Molecular weight:
22002.965
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
General function:
Not Available
Specific function:
Does not seem to have NDK kinase activity. Confers protection from cell death by Bax and alters the cellular levels of several antioxidant enzymes including Gpx5. May play a role in spermiogenesis by increasing the ability of late-stage spermatids to eliminate reactive oxygen species (By similarity).
Gene Name:
NME5
Uniprot ID:
P56597
Molecular weight:
Not Available
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails