Structure Database (LMSD)

OH O
Common Name
9,13-di-cis-retinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090023
Formula
C20H28O2
Exact Mass
Calculate m/z
300.20893
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)
SHGAZHPCJJPHSC-CDMOMSTLSA-N
InChi (Click to copy)
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(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/C(O)=O)/C)=C(C)CC1

References

Other Databases

HMDB ID
HMDB0012874
CHEBI ID
177281
LIPIDBANK ID
VVA0022
PubChem CID
6419708

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 343.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.60
Molar Refractivity 93.76

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Updated at
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