Structure Database (LMSD)

Common Name
13,14-dihydroretinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090066
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Status
Curated
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)
XTOYXKSKSDVOOD-CISKFWAASA-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)
C1(CCCC(C)=C1/C=C/C(/C)=C/C=C/C(C)CC(=O)O)(C)C

Other Databases

CHEBI ID
194189
PubChem CID
5326536

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
22nd Dec 2022
Updated at
22nd Dec 2022