Structure Database (LMSD)
Systematic Name
Octadeca-6Z,9Z-dienedioic acid
Synonyms
LM ID
LMFA01170166
Formula
Exact Mass
Calculate m/z
310.21441
Sum Composition
Status
Active
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana
(#3702)
Magnoliopsida
(#3398)
Analysis of the aliphatic monomer composition of polyesters associated with Arabidopsis epidermis: occurrence of octadeca-cis-6, cis-9-diene-1,18-dioate as the major component.,
Plant J, 2004
Plant J, 2004
Pubmed ID:
15584957
String Representations
InChiKey (Click to copy)
UANZCTRZDQLPDX-PQZOIKATSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\CCCCCCCC(=O)O)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
344.56
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.95
Molar Refractivity
88.96
Admin
Created at
25th Nov 2024
Updated at
25th Nov 2024