Structure database (LMSD)

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LM IDLMFA01070034
Common Namemethyl 10-hydroxy-8,9-epoxy-2Z-decen-4,6-diynoate
Systematic Namemethyl 10-hydroxy-8,9-epoxy-2Z-decen-4,6-diynoate
Synonyms-
Exact Mass
206.0579 (neutral)    Calculate m/z:
FormulaC11H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 11:6;O2
PubChem CID137323800
InChIKeyDHUOSWGSFRCYSJ-ALCCZGGFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H10O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h5,7,9-10,12H,8H2,1H3/b7-5-
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SMILES
C(=C/C#CC#CC1OC1CO)/C(=O)OC
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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 Atoms15Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
205.82Topological Polar
Surface Area
59.06Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP0.34Molar
Refractivity
53.97