all-trans-retinal

Ligand id: 2350

Name: all-trans-retinal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 17.07
Molecular weight 284.21
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal
Synonyms
all-trans-retinal | retinaldehyde
Database Links
CAS Registry No. 116-31-4 (source: Scifinder)
ChEBI CHEBI:17898
ChEMBL Ligand CHEMBL81379
PubChem CID 638015
RCSB PDB Ligand RET
Search Google for chemical match using the InChIKey NCYCYZXNIZJOKI-OVSJKPMPSA-N
Search Google for chemicals with the same backbone NCYCYZXNIZJOKI
Search UniChem for chemical match using the InChIKey NCYCYZXNIZJOKI-OVSJKPMPSA-N
Search UniChem for chemicals with the same backbone NCYCYZXNIZJOKI
Wikipedia Retinal