Structure Database (LMSD)

Common Name
26:1(5Z))
Systematic Name
5Z-hexacosenoic acid
Synonyms
  • C26:1n-21
LM ID
LMFA01030873
Formula
Exact Mass
Calculate m/z
394.38108
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
XGHRLMLHBKEUAP-DQRAZIAOSA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h21-22H,2-20,23-25H2,1H3,(H,27,28)/b22-21-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clathria prolifera (#1190602)
Demospongiae (#6042)
Non-methylene-interrupted fatty acids from marine invertebrates: Occurrence, characterization and biological properties.,
Biochimie, 2009
Pubmed ID: 19376188

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 470.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.23
Molar Refractivity 124.02

Reactions

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Admin

Created at
-
Updated at
25th Apr 2022