Showing Compound Card for UDP-L-arabinose (CDB005034)

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Record Information
Version1.0
Created at2020-04-17 19:02:36 UTC
Updated at2020-11-18 16:39:14 UTC
CannabisDB IDCDB005034
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameUDP-L-arabinose
DescriptionUDP-L-arabinose, also known as UDP-beta-L-arap or UDP-b-L-arabinose, belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. UDP-L-arabinose is an extremely weak basic (essentially neutral) compound (based on its pKa). UDP-L-arabinose is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
UDP-beta-L-ArabinoseChEBI
UDP-beta-L-ArapChEBI
Uridine 5'-diphospho-beta-L-arabinopyranoseChEBI
UDP-b-L-ArabinoseGenerator
UDP-Β-L-arabinoseGenerator
UDP-b-L-ArapGenerator
UDP-Β-L-arapGenerator
Uridine 5'-diphospho-b-L-arabinopyranoseGenerator
Uridine 5'-diphospho-β-L-arabinopyranoseGenerator
UDP-b-L-ArabinopyranoseGenerator
UDP-β-L-arabinopyranoseGenerator
UDP-L-arabinoseHMDB
UDP-arabinoseHMDB
UDP-beta-L-arabinopyranoseHMDB
Uridine 5'-(trihydrogen diphosphate) mono-L-arabinopyranosyl esterHMDB
Uridine 5'-(trihydrogen pyrophosphate) mono-L-arabinopyranosyl esterHMDB
Uridine 5'-(trihydrogen pyrophosphate) mono-L-arabinosyl esterHMDB
Uridine 5'-diphosphate arabinosideHMDB
Uridine 5'-pyrophosphate, beta-L-arabinosyl esterHMDB
Uridine 5'-pyrophosphate, β-L-arabinosyl esterHMDB
Uridine 5’-(trihydrogen diphosphate) mono-L-arabinopyranosyl esterHMDB
Uridine 5’-(trihydrogen pyrophosphate) mono-L-arabinopyranosyl esterHMDB
Uridine 5’-(trihydrogen pyrophosphate) mono-L-arabinosyl esterHMDB
Uridine 5’-diphosphate arabinosideHMDB
Uridine 5’-pyrophosphate, β-L-arabinosyl esterHMDB
Uridine diphosphate arabinoseHMDB
Uridine diphospho-beta-L-arabinopyranoseHMDB
Uridine diphospho-β-L-arabinopyranoseHMDB
Uridine diphosphoarabinoseHMDB
Chemical FormulaC14H22N2O16P2
Average Molecular Weight536.28
Monoisotopic Molecular Weight536.0445
IUPAC Name{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
Traditional Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy([(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy)phosphoryl]oxy)phosphinic acid
CAS Registry Number15839-78-8
SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
InChI Identifier
InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
InChI KeyDQQDLYVHOTZLOR-IAZOVDBXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentPyrimidine ribonucleoside diphosphates
Alternative Parents
Substituents
  • Pyrimidine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Vinylogous amide
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Lactam
  • Urea
  • Secondary alcohol
  • Oxacycle
  • Polyol
  • Organoheterocyclic compound
  • Azacycle
  • Alcohol
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.2ALOGPS
logP-4ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.73ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area274.8 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity100.82 m³·mol⁻¹ChemAxon
Polarizability43.61 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSUDP-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-016r-4936760000-00f37a38fe624376e23dSpectrum
Predicted GC-MSUDP-L-arabinose, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0300-4642229000-26e6ed2c6eb4497585c2Spectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_1_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_9, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_10, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_11, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_12, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_13, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_14, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_15, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUDP-L-arabinose, TMS_2_16, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0901110000-8ae0db777cff3d445c4c2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-4910000000-67006286cf564f62ff422017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-5900000000-da262c67a1973399a7552017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000f-8713790000-946e0081f7ad1a09d3d62017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01ox-9622010000-7089747eea74980128f42017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-06tf-4900000000-53eebd3beb66a7fd8d3f2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0001090000-5cb9330b784831a318c02021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0btc-5913210000-b3ea7476b5c2e48ecb1f2021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-4956200000-d7160be3d1a922677c832021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dr-1800690000-ee1b02fe5fb340e69a4b2021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-4961210000-998fdbdb53c26f8dfaa22021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03ea-5921000000-c5798a971977016536d72021-09-25View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0012303
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB028926
KNApSAcK IDNot Available
Chemspider ID559145
KEGG Compound IDC00935
BioCyc IDCPD-12513
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound644105
PDB IDNot Available
ChEBI ID61455
References
General ReferencesNot Available