Structure Database (LMSD)

Common Name
9-cis-retinal
Systematic Name
Synonyms
LM ID
LMPR01090017
Formula
C20H28O
Exact Mass
Calculate m/z
284.214015
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
NCYCYZXNIZJOKI-MKOSUFFBSA-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\C=O)/C)=C(C)CC1

Other Databases

KEGG ID
C16681
HMDB ID
HMDB0006218
CHEBI ID
78273
LIPIDBANK ID
VVA0014
PubChem CID
6436082
Cayman ID
21692
GuidePharm ID
6673

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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Updated at
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