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 Date2012-09-11 17:36:30 UTC
Update Date2021-09-14 14:59:42 UTC
HMDB IDHMDB0030388
Secondary Accession Numbers
  • HMDB30388
Metabolite Identification
Common Name9-(beta-D-Ribofuranosyl)zeatin
Description9-(beta-D-Ribofuranosyl)-(Z)-Zeatin is found in alfalfa. Zeatin is a plant hormone derived from the purine adenine. It is a member of the plant growth hormone family known as cytokinins. Zeatin was first discovered in immature corn kernels from the genus Zea. Zeatin and derivatives were discovered to be the primary active ingredient in coconut milk, which has long been known to actively induce plant growth. As in the case of kinetin, zeatin has also been reported to have several in vitro anti-aging effects on human skin fibroblasts.(Wikipedia).
Structure
Data?1563861977
Synonyms
ValueSource
9-(b-D-Ribofuranosyl)zeatinGenerator
9-(Β-D-ribofuranosyl)zeatinGenerator
N-(4-Hydroxy-3-methyl-2-butenyl)adenosineMeSH
Zeatin riboside, (cis-(Z))-isomerMeSH
RibosylzeatinMeSH
Zeatin ribosideMeSH
Zeatin riboside, (e)-isomerMeSH
9-Ribosyl-trans-zeatinHMDB
trans-Zeatin ribosideHMDB
Zeatin-9-beta-D-ribofuranosideHMDB
Chemical FormulaC15H21N5O5
Average Molecular Weight351.3577
Monoisotopic Molecular Weight351.154268807
IUPAC Name2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Traditional Name2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Registry Number6025-53-2
SMILES
C\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O
InChI Identifier
InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+
InChI KeyGOSWTRUMMSCNCW-KRXBUXKQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleosides
Sub ClassNot Available
Direct ParentPurine nucleosides
Alternative Parents
Substituents
  • Purine nucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Imidolactam
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Secondary amine
  • Oxacycle
  • Amine
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Primary alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point180 - 182 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.27 g/LALOGPS
logP10(-0.39) g/LALOGPS
logP10(-1.7) g/LChemAxon
logS10(-1.8) g/LALOGPS
pKa (Strongest Acidic)12.45ChemAxon
pKa (Strongest Basic)4.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.78 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity89.58 m³·mol⁻¹ChemAxon
Polarizability36.29 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
9-(beta-D-Ribofuranosyl)zeatinC\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O3921.8Standard polar33892256
9-(beta-D-Ribofuranosyl)zeatinC\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O2405.8Standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatinC\C(CO)=C/CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O3379.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
9-(beta-D-Ribofuranosyl)zeatin,1TMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)CO[Si](C)(C)C3220.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O)CO3232.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TMS,isomer #3C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O)CO3236.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TMS,isomer #4C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C)CO3227.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)[Si](C)(C)C)CO3241.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O)CO[Si](C)(C)C3152.7Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #10C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)CO3160.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O)CO[Si](C)(C)C3164.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #3C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C)CO[Si](C)(C)C3150.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #4C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)[Si](C)(C)C)CO[Si](C)(C)C3156.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #5C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CO3153.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #6C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CO3137.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #7C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)CO3157.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #8C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CO3147.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TMS,isomer #9C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)CO3171.9Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CO[Si](C)(C)C3119.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #10C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)CO3106.1Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CO[Si](C)(C)C3118.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #3C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)CO[Si](C)(C)C3110.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #4C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CO[Si](C)(C)C3120.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)CO[Si](C)(C)C3109.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #6C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C3108.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #7C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CO3085.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #8C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)CO3101.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TMS,isomer #9C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)CO3094.7Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CO[Si](C)(C)C3096.1Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TMS,isomer #2C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)CO[Si](C)(C)C3081.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TMS,isomer #3C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C3079.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TMS,isomer #4C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C3089.3Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)CO3065.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,5TMS,isomer #1C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C3075.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,5TMS,isomer #1C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C3062.0Standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TBDMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)CO[Si](C)(C)C(C)(C)C3435.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TBDMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O)CO3438.3Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TBDMS,isomer #3C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)CO3442.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TBDMS,isomer #4C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)CO3441.1Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,1TBDMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)[Si](C)(C)C(C)(C)C)CO3439.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O)CO[Si](C)(C)C(C)(C)C3583.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #10C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO3552.3Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)CO[Si](C)(C)C(C)(C)C3573.9Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #3C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3566.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #4C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3559.3Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #5C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CO3551.3Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #6C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CO3537.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #7C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)CO3559.7Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #8C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CO3552.5Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,2TBDMS,isomer #9C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)CO3564.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CO[Si](C)(C)C(C)(C)C3688.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #10C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO3637.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #2C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3681.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #3C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3683.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #4C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3683.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3662.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #6C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3660.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #7C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CO3645.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #8C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)CO3645.4Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,3TBDMS,isomer #9C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO3635.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TBDMS,isomer #1C/C(=C\CNC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3802.6Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TBDMS,isomer #2C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3782.0Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TBDMS,isomer #3C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3771.8Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TBDMS,isomer #4C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C3767.2Semi standard non polar33892256
9-(beta-D-Ribofuranosyl)zeatin,4TBDMS,isomer #5C/C(=C\CN(C1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO3743.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-9068000000-19a5e7eaa36596e0d5922017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin GC-MS (4 TMS) - 70eV, Positivesplash10-00fr-1121049000-7b3ecb3583a56cde991f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 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 - 9-(beta-D-Ribofuranosyl)zeatin 10V, Positive-QTOFsplash10-0fk9-1095000000-1b11ce6ccb21a8cbb2102016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 20V, Positive-QTOFsplash10-0uk9-2290000000-838b529c353cc495ea9c2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 40V, Positive-QTOFsplash10-0fl9-9550000000-c2693909505810ea03f52016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 10V, Negative-QTOFsplash10-0uxr-0179000000-96bd88107bafaf0424cd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 20V, Negative-QTOFsplash10-0gb9-0390000000-09c663365f9cda6d9f982016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 40V, Negative-QTOFsplash10-001i-1920000000-932e965938c1e863b0902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 10V, Positive-QTOFsplash10-0uk9-0069000000-b5ce3824980d905d017b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 20V, Positive-QTOFsplash10-0uk9-0591000000-e7fffc9afe48c99d4c922021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 40V, Positive-QTOFsplash10-0f79-2970000000-a00f955f9107cd2bf5262021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 10V, Negative-QTOFsplash10-0udi-0019000000-b3dfb6ba4f8af83ddf512021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 20V, Negative-QTOFsplash10-0zg0-2492000000-e3efb65eaacbf3a0c8252021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 9-(beta-D-Ribofuranosyl)zeatin 40V, Negative-QTOFsplash10-0ue9-0960000000-e72997ccc5200082bc0a2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB002240
KNApSAcK IDC00000095
Chemspider ID4525098
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5375662
PDB IDNot Available
ChEBI ID165835
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 References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .