Structure Database (LMSD)

Common Name
Trideca-1-en-3,5,7,9,11-pentayne
Systematic Name
Trideca-1-en-3,5,7,9,11-pentayne
Synonyms
LM ID
LMFA11000712
Formula
C13H6
Exact Mass
Calculate m/z
162.04695
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ambrosia maritima (#1028380)
Magnoliopsida (#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

String Representations

InChiKey (Click to copy)
KKBHBCOJHHCOCL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3
SMILES (Click to copy)
C(#CC#CC#CC#CC#CC)C=C

Other Databases

KEGG ID
C08464
HMDB ID
HMDB0035400
CHEBI ID
9699
PubChem CID
441552
NP-MRD ID(NMR)
NP0048230

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 204.42
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 1.21
Molar Refractivity 54.75

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Created at
-
Updated at
13th Jun 2021