BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

D-Ribulose 5-phosphate

Graphical representations:

D-Ribulose 5-phosphate image

View large 3D structure

Molecular Formula: C5 H11 O8 P

Natural Isotopic Abundance Mass: 230.1098010000

Mono-Isotopic Molecular Masses:

  • C12N14: 230.01915384
  • C13N14: 235.035928029
  • C12N15: 230.01915384
  • C13N15: 235.035928029

InChI String: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1

canonical SMILES: C(C(C(C(C=O)O)O)O)OP(=O)(O)O

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

PubChem Substance (SID):   85165083   655036   3499
PubChem Compound (CID):   77982
KEGG: Compound ID   C00199
CAS Registry IDs:   4151-19-3   4300-28-1
PDB Chemical Component   R51   R52
Miscellaneous Databases and IDs:   ChemIDplus 004300281   EINECS 224-310-2

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773