Structure database (LMSD)

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LM IDLMFA01070026
Common Name10,11-Epoxy-7Z-hexadecenoic acid
Systematic Name10,11-Epoxy-7Z-hexadecenoic acid
Synonyms10,11-Epoxy-Z-7-hexadecenoic acid; 7Z-9-(3-pentyloxiranyl)-7-Nonenoic acid; 10,
11-Epoxyhexadec-7c-enoic acid
Exact Mass
268.2038 (neutral)    Calculate m/z:
FormulaC16H28O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 16:2;O
PubChem CID124146604
PlantFA ID10543
InChIKeyOOBAENXGGRRPTQ-TWGQIWQCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-
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SMILES
C(O)(=O)CCCCC/C=C\CC1C(CCCCC)O1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
294.09Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.89Molar
Refractivity
78.30