Structure Database (LMSD)

Common Name
11Z-6s-trans-fixed bicyclic retinal
Systematic Name
Synonyms
LM ID
LMPR01090042
Formula
C20H26O
Exact Mass
Calculate m/z
282.198365
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 15. Synthesis and spectral characterization of bicyclic retinals involving the 8–18 or 8–16 bonded structure,
J. Chem. Soc., Perkin Trans, 1993

String Representations

InChiKey (Click to copy)
JZVQPHGYTPIYGJ-XMTSQJESSA-N
InChi (Click to copy)
InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-19-17(3)9-6-11-20(19,4)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5-,15-10+,16-8+
SMILES (Click to copy)
C1C(C)=C2C=C(CC2(C)CC1)/C(=C/C=C\C(\C)=C\C=O)/C

Other Databases

LIPIDBANK ID
VVA0041
PubChem CID
16061329

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 322.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.47
Molar Refractivity 90.08

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Created at
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Updated at
30th Jun 2021