Structure Database (LMSD)

Common Name
16:1(5Z)
Systematic Name
5Z-hexadecenoic acid
Synonyms
  • C16:1n-11
LM ID
LMFA01030854
Status
Active
Exact Mass
Calculate m/z
254.22458
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KVXIRQZWCOAYRD-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCCCC)(=O)O

References

Reference
Characteristics of the Fatty Acid Composition
of a Deep-Sea Vent Gastropod, Ifremeria nautilei
Hiroaki Saito, Jun Hashimot
Lipids (2010) 45:537-54

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ifremeria nautilei (#71812)
Gastropoda (#6448)
Characteristics of the fatty acid composition of a deep-sea vent gastropod, Ifremeria nautilei.,
Lipids, 2010
Pubmed ID: 20549377

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

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Updated at
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