Structure Database (LMSD)

Systematic Name
13Z,15-Hexadecadiene-2,4-diyne-1-ol
Synonyms
LM ID
LMFA05000742
Formula
C16H22O
Exact Mass
Calculate m/z
230.167065
Sum Composition
FOH 16:6
Status
Active
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.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Montipora digitata (#46705)
Anthozoa (#6101)
Montiporic acids A and B, cytotoxic and antimicrobial polyacetylene carboxylic acids from eggs of the scleractinian coral Montipora digitata.,
J Nat Prod, 1996
Pubmed ID: 8792626

String Representations

InChiKey (Click to copy)
SQHFYPMZLFCNGF-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-4,17H,1,5-11,16H2/b4-3-
SMILES (Click to copy)
OCC#CC#CCCCCCCC/C=C\C=C

Other Databases

PubChem CID
23426171

Calculated Physicochemical Properties

Heavy Atoms 17
Rings
Aromatic Rings
Rotatable Bonds 8
Van der Waals Molecular Volume 278.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 74.78

Admin

Created at
28th Sep 2021
Updated at
25th Apr 2022