Structure Database (LMSD)

Common Name
Falcarinolone
Systematic Name
(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
Synonyms
LM ID
LMFA05000659
Formula
C17H22O2
Exact Mass
Calculate m/z
258.16198
Sum Composition
FOH 17:7;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
STNWZOBISHHDCD-UVTDQMKNSA-N
InChi (Click to copy)
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-
SMILES (Click to copy)
C=CC(=O)C#CC#CC(O)/C=C\CCCCCCC

Other Databases

HMDB ID
HMDB0037645
CHEBI ID
173841
PubChem CID
6442185

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 301.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.31
Molar Refractivity 79.79

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Created at
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Updated at
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