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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2009-01-29 15:28:58 UTC
Update Date2021-09-14 14:58:03 UTC
HMDB IDHMDB0011616
Secondary Accession Numbers
  • HMDB11616
Metabolite Identification
Common NameAdenosine 2',3'-cyclic phosphate
DescriptionSedoheptulose, also known as D-altro-heptulose or volemulose, belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. The Crassulaceae, or orpine family, is a family of dicotyledons. Sedoheptulose is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, sedoheptulose is involved in pentose phosphate pathway. They are found worldwide, but mostly occur in the northern hemisphere and southern Africa, typically in dry and/or cold areas where water may be scarce. It also plays an important role as a transitory compound in the cyclic regeneration of D-ribulose for carbon dioxide fixation in plant photosynthesis. Sedoheptulose is a seven-carbon ketose sugar originally found in Sedum spectabile, a common perennial garden plant. As a result, this sugar is often found to be part of the human diet. It is one of the few heptoses found in nature. Later it was shown to be widely distributed in the plants of the Crassulaceae family. The family includes about 1,400 species in 33 genera.
Structure
Data?1582752929
Synonyms
ValueSource
beta-D-SedoheptuloseChEBI
D-Altro-heptuloseChEBI
D-SedoheptuloseChEBI
VolemuloseChEBI
b-D-SedoheptuloseGenerator
Β-D-sedoheptuloseGenerator
b-D-SedoheptulopyranoseHMDB
Β-D-sedoheptulopyranoseHMDB
D-AltroheptuloseHMDB
beta-D-SedoheptulopyranoseHMDB
beta-D-Altro-2-heptulopyranoseHMDB
Β-D-altro-2-heptulopyranoseHMDB
2',3'-CAMPHMDB
2',3'-Cyclic adenosine monophosphateHMDB
Adenosine cyclic 2',3'-monophosphateHMDB
Cyclic 2',3'-(hydrogen phosphate)-adenosineHMDB
Cyclic 2',3'-AMPHMDB
2',3'-Cyclic AMPMeSH, HMDB
2',3'-Cyclic AMP, monosodium saltMeSH, HMDB
Adenosine cyclic-2',3'-monophosphateMeSH, HMDB
2',3'-Cyclic AMP, sodium saltMeSH, HMDB
Adenosine cyclic 2,3 monophosphateMeSH, HMDB
Adenosine 2',3'-cyclic phosphoric acidGenerator
Chemical FormulaC10H12N5O6P
Average Molecular Weight329.2059
Monoisotopic Molecular Weight329.052519653
IUPAC Name4-(6-amino-9H-purin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one
Traditional Name4-(6-aminopurin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one
CAS Registry Number634-01-5
SMILES
NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12
InChI Identifier
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
InChI KeyKMYWVDDIPVNLME-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentC-glycosyl compounds
Alternative Parents
Substituents
  • Hexose monosaccharide
  • C-glycosyl compound
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

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 Solubility3.59 g/LALOGPS
logP10(-2.5) g/LALOGPS
logP10(-3.8) g/LChemAxon
logS10(-2) g/LALOGPS
pKa (Strongest Acidic)1.76ChemAxon
pKa (Strongest Basic)4.99ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area154.84 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity70.29 m³·mol⁻¹ChemAxon
Polarizability28.38 ųChemAxon
Number of Rings4ChemAxon
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]+173.16131661259
DarkChem[M-H]-172.46231661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Adenosine 2',3'-cyclic phosphateNC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC123700.8Standard polar33892256
Adenosine 2',3'-cyclic phosphateNC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC122630.6Standard non polar33892256
Adenosine 2',3'-cyclic phosphateNC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC123247.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adenosine 2',3'-cyclic phosphate,1TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O)OC123046.3Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,1TMS,isomer #2C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N)N=CN=C43)C2O13060.3Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,1TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC213070.2Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC123018.1Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC123085.7Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC124434.8Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC213045.3Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC213018.0Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC214678.1Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC213048.8Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC213074.1Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC214484.1Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C3045.9Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C3154.2Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C4680.0Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC213034.7Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC213067.3Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC214203.6Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC123029.1Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC123164.6Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC124281.3Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O13058.9Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O13206.5Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O14083.7Standard polar33892256
Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC123080.0Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC123199.8Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC123823.1Standard polar33892256
Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O)OC123260.3Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N)N=CN=C43)C2O13264.8Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC213254.0Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC123427.8Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC123538.8Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC124595.7Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC213441.4Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC213488.4Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC214761.4Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC213430.8Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC213500.8Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC214625.9Standard polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C3412.7Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C3573.2Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C4641.7Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC213571.0Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC213708.7Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC214457.6Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC123562.7Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC123813.0Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC124405.9Standard polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O13560.7Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O13804.0Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O14258.4Standard polar33892256
Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC123690.1Semi standard non polar33892256
Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC124001.8Standard non polar33892256
Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC124077.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-00sl-4931000000-63bbe1c23904369ab6dc2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (1 TMS) - 70eV, Positivesplash10-00di-4963000000-2b49ded7864dfe43fd632017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 2',3'-cyclic 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 - Adenosine 2',3'-cyclic phosphate 10V, Positive-QTOFsplash10-000i-1904000000-0a4c1fe6e7f0f0e471dd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Positive-QTOFsplash10-000i-0900000000-28f1776c8c08029a99822017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Positive-QTOFsplash10-000i-2900000000-a28e89ce894806596ddd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Negative-QTOFsplash10-0059-0409000000-3004bf80483487c032f52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Negative-QTOFsplash10-001i-0900000000-21e625f749ef757796252017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Negative-QTOFsplash10-053r-3900000000-4ed31a0af1579b8f5e052017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Positive-QTOFsplash10-001i-0009000000-a6a397633559c6672b082021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Positive-QTOFsplash10-001i-0209000000-eb0e5bb1205894657ee72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Positive-QTOFsplash10-000i-0902000000-b0c38d2925719c58ec192021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Negative-QTOFsplash10-004i-0009000000-24546b3fc8282cbfee152021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Negative-QTOFsplash10-004i-0109000000-c2871eb4df0f5c053bf62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Negative-QTOFsplash10-053r-2900000000-d02a1a43356a83f685812021-09-22Wishart 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 Locations
  • Blood
  • Feces
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.026 +/- 0.00096 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00001132
Chemspider ID390207
KEGG Compound IDC08355
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSedoheptulose
METLIN IDNot Available
PubChem Compound441483
PDB IDNot Available
ChEBI ID27520
Food Biomarker OntologyNot Available
VMH IDM03165
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Krall JF, Swensen JL, Korenman SG: Hormonal control of uterine contraction. Characterization od cyclic AMP-dependent membrane properties in the myometrium. Biochim Biophys Acta. 1976 Nov 2;448(4):578-88. [PubMed:184841 ]
  2. Schoffstall AM: Prebiotic phosphorylation of nucleosides in formamide. Orig Life. 1976 Dec;7(4):399-412. [PubMed:1023139 ]
  3. Cheng C, Fan C, Wan R, Tong C, Miao Z, Chen J, Zhao Y: Phosphorylation of adenosine with trimetaphosphate under simulated prebiotic conditions. Orig Life Evol Biosph. 2002 Jun;32(3):219-24. [PubMed:12227426 ]
  4. Ghandour MS, Derer P, Labourdette G, Delaunoy JP, Langley OK: Glial cell markers in the reeler mutant mouse: a biochemical and immunohistological study. J Neurochem. 1981 Jan;36(1):195-200. [PubMed:6257845 ]
  5. Wells MR, Sprinkle TJ: Purification of rat 2',3'-cyclic nucleotide 3'-phosphodiesterase. J Neurochem. 1981 Feb;36(2):633-9. [PubMed:6257858 ]
  6. Reddy NB, Askanas V, Engel WK: Demonstration of 2',3'-cyclic nucleotide 3'-phosphohydrolase in cultured human Schwann cells. J Neurochem. 1982 Sep;39(3):887-9. [PubMed:6284879 ]
  7. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

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