Structure Database (LMSD)

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

Classification

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

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

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

Other Databases

CHEBI ID
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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Created at
-
Updated at
25th Apr 2022