Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Gelcohol synonyms



Graphical representations:

Gelcohol image

View large 3D structure

Molecular Formula: C16H26O4

Natural Isotopic Abundance Mass: 282.37524

Mono-Isotopic Molecular Masses:

  • C12N14: 282.183109312
  • C13N14: 298.23678672
  • C12N15: 282.183109312
  • C13N15: 298.23678672

InChI String: InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   222778
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

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,