Structure database (LMSD)

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LM IDLMFA01070040
Common Name5R,6R-epoxy-7-eicosynoic acid
Systematic Name5R,6R-epoxy-eicos-7-ynoic acid
Synonyms-
Exact Mass
322.2508 (neutral)    Calculate m/z:
FormulaC20H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 20:3;O
PubChem CID137323806
InChIKeyDRLUZIPKHGLGFT-RTBURBONSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h18-19H,2-12,14,16-17H2,1H3,(H,21,22)/t18-,19-/m1/s1
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SMILES
C([C@H]1O[C@@H]1C#CCCCCCCCCCCCC)CCC(O)=O
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StatusActive
ReferencesEpoxy Acetylenic Lipids: Their analogues and derivatives. Dmitry V. Kuklev and Valery Dembitsky. Progress in Lipid Research, Volume 56, 2014, pp. 67-91.

https://www.sciencedirect.com/science/article/pii/S0163782714000423
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
360.65Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.90Molar
Refractivity
95.41