Structure Database (LMSD)

Common Name
9-cis-13,14-dihydroretinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090065
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
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)
9-Cis-13,14-dihydroretinoic acid, a new endogenous mammalian ligand of retinoid X receptor and the active ligand of a potential new vitamin A category: vitamin A5.,
Nutr Rev, 2018
Pubmed ID: 30358857

String Representations

InChiKey (Click to copy)
XTOYXKSKSDVOOD-ACUHIMHNSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,16H,7,10,13-14H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C\C=C\C(C)CC(O)=O)/C)=C(C)CC1

Other Databases

PubChem CID
87510621

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 346.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.68
Molar Refractivity 93.79

Admin

Created at
20th Dec 2022
Updated at
20th Dec 2022