Structure Database (LMSD)

Common Name
cis-Palmitvaccenic acid
Systematic Name
11Z-hexadecenoic acid
Synonyms
  • C16:1n-5
  • Tanacetumoleic acid
LM ID
LMFA01030262
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
Bombyx mori (#7091)
Insecta (#50557)
Daily changes in the characteristic fatty acid (Z)-11-hexadecenoic acid of the pheromone gland of the silkworm pupa and moth, Bombyx mori L. (Lepidoptera: Bombycidae)
Androsace septentrionalis (#184985)
Magnoliopsida (#3398)
Isomers of hexadecenoic and hexadecadienoic acids in Androsace septentrionalis (Primulaceae) seed oil.,
Lipids, 2003
Pubmed ID: 14733363

String Representations

InChiKey (Click to copy)
JGMYDQCXGIMHLL-WAYWQWQTSA-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/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

LIPIDAT ID
4382
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