Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C20H28O2

Natural Isotopic Abundance Mass: 300.43512

Mono-Isotopic Molecular Masses:

  • C12N14: 300.208930143
  • C13N14: 320.276026899
  • C12N15: 300.208930143
  • C13N15: 320.276026899

InChI string: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

PubChem Compound (CID): 444795
CAS Registry number: 5300-03-8 302-79-4
Sigma-Aldrich: R2625_SIGMA
ChEBI: CHEBI:15367
ChemBank: BSPBio_001500
HSDB: 7186
ChemIDplus: 005300038
Shanghai Institute of Organic Chemistry: 1n4h
ChemSpider: 13728944
MMDB: 53830.2
CCRIS: 7098
DTP/NCI: 122758
NIST: 2009898441
EPA DSSTox: 54279
LipidMAPS: LMPR01090019
PDSP: Prestwick_424
NINDS Approved Drug Screening Program: 01503119
KEGG Compound ID: D00094
NCGC: NCGC00021808-15
MMCD: cq_00524
MDL: MFCD00001551
PDB Compound ID: REA

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,