Biological Magnetic Resonance Data Bank

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

Trans 4 Hydroxy-L-proline

Graphical representations:

trans 4 Hydroxy-L-proline image

View large 3D structure

Molecular Formula: C5 H9 N O3

Natural Isotopic Abundance Mass: 131.1298600000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.05824316
  • C13N14: 136.075017349
  • C12N15: 132.055278054
  • C13N15: 137.0720522426

InChI String: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1

isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)O

canonical SMILES: C1C(CNC1C(=O)O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

PubChem Substance (SID):   85164955   148602   4260
PubChem Compound (CID):   5810
KEGG: Compound ID   C01015
CAS Registry IDs:   138-46-5   17210-41-2   21105-75-9   24784-87-0   51-35-4   54733-36-7
PDB Chemical Component   HYP
Miscellaneous Databases and IDs:   CHEBI 18240   NSC 46704   EINECS 200-091-9

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,