BMRB

Biological Magnetic Resonance Data Bank


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

Cis-3-hexen-1-ol

Graphical representations:

cis-3-hexen-1-ol image

Molecular Formula: C6 H12 O

Natural Isotopic Abundance Mass: 100.15888

Mono-Isotopic Molecular Masses:

  • C12N14: 100.0888150073
  • C13N14: 106.1089440341
  • C12N15: 100.0888150073
  • C13N15: 106.1089440341

InCHi String: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

canonical SMILES: CCC=CCCO

isomeric SMILES: CC\C=C/CCO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(Z)-hex-3-en-1-ol

PubChem Substance (SID):   85165164   10538123   24901154
PubChem Compound (CID):   5281167
KEGG: Compound ID   C08492
CAS Registry IDs:   95123-47-0   928-96-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W256323_ALDRICH   ChEBI CHEBI:28857   ChemIDplus 000928961   EINECS 213-192-8   DTP/NCI 74451   CambridgeSoft Corporation 4456   EPA DSSTox 2137   LipidMAPS LMFA05000059   ZINC ZINC04658605   Beilstein Handbook Reference 4-01-00-02141   NIST Chemistry WebBook 2399087035   MMCD cq_05178   MDL MFCD00063217

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.