Structure Database (LMSD)

Common Name
8R,9R-epoxy-17-octadecen-4,6-diynoic acid
Systematic Name
8R,9R-epoxy-17-octadecen-4,6-diynoic acid
Synonyms
LM ID
LMFA01070050
Status
Active
Exact Mass
Calculate m/z
288.172545
Formula
C18H24O3
Abbrev
FA 18:6;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
CBZFXYOBKXTQJP-IAGOWNOFSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h2,16-17H,1,3-7,10,12-13,15H2,(H,19,20)/t16-,17-/m1/s1
SMILES (Click to copy)
C(#CC#C[C@@H]1[C@@H](CCCCCCCC=C)O1)CCC(O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lycogala epidendrum (#300236)
Eumycetozoa (#142796)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Pubmed ID: 25193612

Other Databases

PubChem CID
137323814

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 318.13
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.11
Molar Refractivity 84.62

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Updated at
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