Structure Database (LMSD)

O OH
Common Name
14:4(2E,4E,8E,10E)(4Me,6Me[S],12Me[S])
Systematic Name
4,6S,12-trimethyl-2E,4E,8E,10E-tetradecatrienoic acid
Synonyms
LM ID
LMFA01031244
Formula
C17H26O2
Exact Mass
Calculate m/z
262.19328
Sum Composition
FA 17:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WBNCIAHQXVTZCN-UZMQBWJGSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-5-14(2)9-7-6-8-10-15(3)13-16(4)11-12-17(18)19/h6-9,11-15H,5,10H2,1-4H3,(H,18,19)/b8-6+,9-7+,12-11+,16-13+/t14-,15-/m0/s1
SMILES (Click to copy)
C(/C=C/C(/C)=C/[C@@H](C)C/C=C/C=C/[C@@H](C)CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ephydatia syriaca (#1191330)
Demospongiae (#6042)
Multibranched polyunsaturated and very-long-chain fatty acids of freshwater Israeli sponges.,
J Nat Prod, 2002
Pubmed ID: 12027746

Other Databases

PubChem CID
171118784

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 307.04
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.76
Molar Refractivity 82.05

Admin

Created at
13th Apr 2021
Updated at
30th Sep 2021