Structure Database (LMSD)

Common Name
1,8-Heptadecadiene-4,6-diyne-3,10-diol
Systematic Name
(8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
Synonyms
LM ID
LMFA05000584
Formula
C17H24O2
Exact Mass
Calculate m/z
260.17763
Sum Composition
FOH 17:6;O
Status
Curated
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)
DSVMWGREWREVQQ-QINSGFPZSA-N
InChi (Click to copy)
InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12-
SMILES (Click to copy)
C=CC(O)C#CC#C/C=C\C(O)CCCCCCC

Other Databases

HMDB ID
HMDB0038781
CHEBI ID
66471
PubChem CID
6438621

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 304.40
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.39
Molar Refractivity 81.30

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Created at
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Updated at
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