dTDP-4-dehydro-β-L-rhamnose (PAMDB110504)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110504
Identification
Name: dTDP-4-dehydro-β-L-rhamnose
Description:A dTDP-sugar having 4-dehydro-6-deoxy-L-mannose as the sugar portion.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • dTDP-4-oxo-6-deoxy-β-L-mannose
  • dTDP-4-oxo-β-L-rhamnose
  • dTDP-4-dehydro-6-deoxy-β-L-mannose
  • dTDP-4-keto-L-rhamnose
Chemical Formula: C16H22N2O15P2
Average Molecular Weight: 544.3
Monoisotopic Molecular Weight: 546.0651911323
InChI Key: PSXWNITXWWECNY-LPVGZGSHSA-L
InChI: InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8-,9+,10+,12+,13+,15+/m0/s1
CAS number: Not Available
IUPAC Name:thymidine 5'-[3-(6-deoxy-L-lyxo-hexopyranosyl-4-ulose) dihydrogen diphosphate]
Traditional IUPAC Name: Not Available
SMILES:CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(=O)C(O)C(O)2))O3))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Pyrimidine nucleotides
Sub ClassPyrimidine nucleotide sugars
Direct Parent Pyrimidine nucleotide sugars
Alternative Parents
Substituents
  • Pyrimidine nucleotide sugar
  • Pyrimidine 2'-deoxyribonucleoside diphosphate
  • Pentose phosphate
  • Organic pyrophosphate
  • Pyrimidone
  • Hydropyrimidine
  • Pyrimidine
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Vinylogous amide
  • Lactam
  • Secondary alcohol
  • Urea
  • Ketone
  • Cyclic ketone
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a dTDP-sugar (DTDP-DEOH-DEOXY-MANNOSE)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight544.299 g/molPubChem
XLogP3-AA-4.5 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count15 PubChem
Rotatable Bond Count8 PubChem
Exact Mass544.05 g/molPubChem
Monoisotopic Mass544.05 g/molPubChem
Topological Polar Surface Area254 A^2PubChem
Heavy Atom Count35 PubChem
Formal Charge-2 PubChem
Complexity987 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count7 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI10511
IAF126035704
KEGGC00688
PubChem25244324