Structure Database (LMSD)

Systematic Name
2E,4E,6E,8E,10E,12E-tetradecahexaenedial
Synonyms
LM ID
LMFA06000284
Formula
C14H14O2
Exact Mass
Calculate m/z
214.09938
Sum Composition
FAL 14:7;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microconidiobolus paulus (#1342296)
Entomophthoromycetes (#1399770)
(all trans)-2,4,6,8,10,12-tetradecahexene-1,14-dial, a new pigment from Conidiobolus paulus.,
J Nat Prod, 1996
Pubmed ID: 8699189

String Representations

InChiKey (Click to copy)
LSSFWUWIGASWGW-CZBFJCMTSA-N
InChi (Click to copy)
InChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
SMILES (Click to copy)
C(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)[H])(=O)[H]

Other Databases

PubChem CID
6440797

Calculated Physicochemical Properties

Heavy Atoms 16
Rings
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 247.22
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 2.72
Molar Refractivity 66.97

Admin

Created at
31st Oct 2021
Updated at
31st Oct 2021