Structure Database (LMSD)

Common Name
Dehydrosiphonochalynol
Systematic Name
(4Z,19Z)-docosa-4,19-diene-2,9,11,13,21-pentayne-1-ol
Synonyms
LM ID
LMFA05000722
Formula
C22H22O
Exact Mass
Calculate m/z
302.167065
Sum Composition
FOH 22:12
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Callyspongia siphonella (#469330)
Demospongiae (#6042)
Cytotoxic polyacetylenes from the Red Sea sponge Siphonochalina siphonella.,
Z Naturforsch C J Biosci, 2014
Pubmed ID: 24873032

String Representations

InChiKey (Click to copy)
VWHUYEBWDMFMLW-WLXZLGQWSA-N
InChi (Click to copy)
InChI=1S/C22H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,18-19,23H,5-8,15-17,22H2/b4-3-,19-18-
SMILES (Click to copy)
C(C#C/C=C\CCCC#CC#CC#CCCCC/C=C\C#C)O

Other Databases

PubChem CID
9995097

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 366.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.75
Molar Refractivity 98.11

Admin

Created at
10th May 2020
Updated at
25th Apr 2022