Structure Database (LMSD)

Common Name
trans, cis-stillingic acid
Systematic Name
2E,4Z-decadienoic acid
Synonyms
  • trans-2, cis-4-decadienoic acid
  • C10:2n-6,8
LM ID
LMFA01030103
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
FA 10:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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
Stillingia (#213021)
Magnoliopsida (#3398)
Amides of vegetable origin. Part V. Stereochemistry of conjugated dienes,
J. Chem. Soc., 1955

String Representations

InChiKey (Click to copy)
YKHVVNDSWHSBPA-NMMTYZSQSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6-,9-8+
SMILES (Click to copy)
C(=C/C=C\CCCCC)\C(=O)O

Other Databases

CHEBI ID
195813
LIPIDBANK ID
DFA0142
PubChem CID
5282781

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.76
Molar Refractivity 50.06

Admin

Created at
-
Updated at
25th Apr 2022