Structure Database (LMSD)

Common Name
Manaoic acid
Systematic Name
11-(cyclo-pent-2-en-1-yl)-6Z-un-decenoic acid
Synonyms
  • Manoaic acid
LM ID
LMFA01140036
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caloncoba echinata (#312426)
Magnoliopsida (#3398)
New cyclopentenyl fatty acids in Flacourtiaceae. Straight-chain fatty acids and cyclic fatty acids in lipids during maturation of the seeds.,
Biochemistry, 1974
Pubmed ID: 4364774

String Representations

InChiKey (Click to copy)
NUYKZLPZCISBEW-UPHRSURJSA-N
InChi (Click to copy)
InChI=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-
SMILES (Click to copy)
C(O)(=O)CCCC/C=C\CCCCC1CCC=C1

Other Databases

PubChem CID
131839791
PlantFA ID
10230

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 282.66
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.71
Molar Refractivity 75.58

Admin

Created at
-
Updated at
13th Apr 2021