BMRB

Biological Magnetic Resonance Data Bank


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

L-Histidinol

Graphical representations:

L-Histidinol image

Molecular Formula: C6 H11 N3 O

Natural Isotopic Abundance Mass: 141.17104

Mono-Isotopic Molecular Masses:

  • C12N14: 141.0902119908
  • C13N14: 147.1103410176
  • C12N15: 144.0813166704
  • C13N15: 150.1014456972

InCHi String:

canonical SMILES: C1=C(NC=N1)CC(CO)N

isomeric SMILES: C1=C(NC=N1)C[C@@H](CO)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol

PUBCHEM iupac CAS NAME
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-propanol

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-azanyl-3-(1H-imidazol-5-yl)propan-1-ol

PubChem Substance (SID):   85165237   4117   8143462
PubChem Compound (CID):   165271
KEGG: Compound ID   C00860
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:16255   ChEMBL CHEMBL278081   NMRShiftDB 20045930

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.