Structure Database (LMSD)

Common Name
(11Z)-8,18-ethanoretinal
Systematic Name
Synonyms
LM ID
LMPR01090043
Formula
C22H30O
Exact Mass
Calculate m/z
310.229665
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
synthetic construct (#32630)
Retinoids and related compounds. Part 20.1 Synthesis of (11Z)-8,18-ethanoretinal and a conformational study of the rhodopsin chromophore,
J. Chem. Soc., Perkin Trans, 1997

String Representations

InChiKey (Click to copy)
ARNSYHHHMPKWSV-ZFDCRCAWSA-N
InChi (Click to copy)
InChI=1S/C22H30O/c1-17(13-15-23)8-5-9-18(2)20-11-6-10-19-12-7-14-22(3,4)21(19)16-20/h5,8-9,13,15-16H,6-7,10-12,14H2,1-4H3/b8-5-,17-13+,18-9+
SMILES (Click to copy)
C1C(C)(C)C2C=C(/C(=C/C=C\C(\C)=C\C=O)/C)CCCC=2CC1

Other Databases

LIPIDBANK ID
VVA0042
PubChem CID
10267419

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 357.39
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.25
Molar Refractivity 99.31

Admin

Created at
-
Updated at
30th Jun 2021