Structure Database (LMSD)

Common Name
all-trans-13,14-dihydroretinol
Systematic Name
13,14-dihydroretinol
Synonyms
  • 13,14-Dihydroretinol
LM ID
LMPR01090047
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
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)
OVBOQVAIYMSUDT-HRYGCDPOSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
SMILES (Click to copy)
C1(CCCC(C)=C1/C=C/C(/C)=C/C=C/C(C)CCO)(C)C

References

Other Databases

KEGG ID
C15492
HMDB ID
HMDB0011618
CHEBI ID
52075
PubChem CID
446798
Cayman ID
34873

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 340.43
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.87
Molar Refractivity 93.73

Admin

Created at
-
Updated at
9th Jun 2022