Structure Database (LMSD)

Common Name
Lentialexin
Systematic Name
oct-7-en-3,5-diyn-1-ol
Synonyms
LM ID
LMFA05000672
Formula
C8H8O
Exact Mass
Calculate m/z
120.057515
Sum Composition
FOH 8:5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

Reactions

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ⓘ 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
Lentinula edodes (#5353)
Agaricomycetes (#155619)
Increased or Induced Formation of Antifungal Substances in Cultures of Lentinus edodes by the Attack of Trichoderma spp,
Proc Jap Acad B, 1987

String Representations

InChiKey (Click to copy)
AGWFAJXETXIOEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
SMILES (Click to copy)
C(CC#CC#CC=C)O

Other Databases

HMDB ID
HMDB0038997
CHEBI ID
178221
PubChem CID
15503524

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 142.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.85
Molar Refractivity 37.94

Admin

Created at
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Updated at
25th Apr 2022