Structure Database (LMSD)

Common Name
13,14-dihydroretinal
Systematic Name
Synonyms
LM ID
LMPR01090067
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Retinoids [PR0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Metabolism and transactivation activity of 13,14-dihydroretinoic acid.,
J Biol Chem, 2005
Pubmed ID: 15911617

String Representations

InChiKey (Click to copy)
YBLASMZMTCDCLQ-HRYGCDPOSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,15,17H,7,10,13-14H2,1-5H3/b9-6+,12-11+,16-8+
SMILES (Click to copy)
C1(CCCC(C)=C1/C=C/C(/C)=C/C=C/C(C)CC=O)(C)C

Other Databases

CHEBI ID
194182
PubChem CID
11369677

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 337.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 5.80
Molar Refractivity 92.21

Admin

Created at
22nd Dec 2022
Updated at
27th Apr 2023