Structure Database (LMSD)

O
Common Name
13-cis-retinal
Systematic Name
Synonyms
LM ID
LMPR01090018
Formula
C20H28O
Exact Mass
Calculate m/z
284.214015
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)
NCYCYZXNIZJOKI-HWCYFHEPSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C\C=O)/C)/C)=C(C)CC1

References

Other Databases

HMDB ID
HMDB0001358
CHEBI ID
45487
LIPIDBANK ID
VVA0017
PubChem CID
6436079
GuidePharm ID
6671

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 335.15
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.72
Molar Refractivity 92.19

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Created at
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Updated at
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