Structure database (LMSD)

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LM IDLMFA01140036
Common NameManaoic acid
Systematic Name11-(cyclo­pent-2-en-1-yl)-6Z-un­decenoic acid
SynonymsManoaic acid
Exact Mass
250.1933 (neutral)    Calculate m/z:
FormulaC16H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID131839791
PlantFA ID10230
InChIKeyNUYKZLPZCISBEW-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h1-2,9,12,15H
,3-8,10-11,13-14H2,(H,17,18)/b2-1-
SMILESC(O)(=O)CCCC/C=C\CCCCC1CCC=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
282.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.71Molar
Refractivity
75.58