Structure Database (LMSD)

O O OH
Common Name
DACP analog of retinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090027
Formula
C20H26O3
Exact Mass
Calculate m/z
314.188195
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
FSLMGODKGHHERM-FRCNGJHJSA-N
InChi (Click to copy)
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
SMILES (Click to copy)
C1(=C(C(=O)C)CCC1(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Activity of vitamin A analogues in cell cultures of mouse epidermis and organ cultures of hamster trachea.,
Nature, 1975
Pubmed ID: 1110749

Other Databases

CHEBI ID
185854
LIPIDBANK ID
VVA0026
PubChem CID
6438146

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 350.09
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.78
Molar Refractivity 94.15

Admin

Created at
-
Updated at
2nd Jul 2021