Structure Database (LMSD)

Common Name
Minquartynoic acid
Systematic Name
17S-Hydroxyoctadecatetra-9,11,13,15-ynoic acid
Synonyms
  • 17-hydroxyoctadeca-9,11,13,15-tetraynoic acid
LM ID
LMFA01050459
Formula
C18H20O3
Exact Mass
Calculate m/z
284.141245
Sum Composition
FA 18:8;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ochanostachys amentacea (#397394)
Magnoliopsida (#3398)
Absolute stereochemistry and anti-HIV activity of minquartynoic acid, a polyacetylene from Ochanostachys amentacea.,
Nat Prod Lett, 2001
Pubmed ID: 11547419

String Representations

InChiKey (Click to copy)
MTWGWIOCIREVRF-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCCC#CC#CC#CC#C[C@@H](O)C)(=O)O

Other Databases

CHEBI ID
542606
PubChem CID
183614
PlantFA ID
10514

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 322.57
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.48
Molar Refractivity 83.25

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Updated at
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