Structure Database (LMSD)

Common Name
All-Trans-3,4-Didehydro-Retinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090020
Formula
C20H26O2
Exact Mass
Calculate m/z
298.19328
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)
SYESMXTWOAQFET-YCNIQYBTSA-N
InChi (Click to copy)
InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)=C(C)C=C1

Other Databases

HMDB ID
HMDB0060092
CHEBI ID
133794
LIPIDBANK ID
VVA0019
PubChem CID
447276

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 341.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.38
Molar Refractivity 93.67

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Updated at
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