BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-(-)-Threitol

Graphical representations:

L-(-)-Threitol image

Molecular Formula: C4 H10 O4

Natural Isotopic Abundance Mass: 122.1198000000

Mono-Isotopic Molecular Masses:

  • C12N14: 122.057908809
  • C13N14: 126.071328161
  • C12N15: 122.057908809
  • C13N15: 126.071328161

InCHi String: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2

isomeric and canonical SMILES: C(C(C(CO)O)O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
butane-1,2,3,4-tetrol

PubChem Substance (SID):   111677725   272831
PubChem Compound (CID):   8998
KEGG: Compound ID   n/a
CAS Registry IDs:   2319-57-5
PDB Chemical Component   DTL   MRY
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.