Structure Database (LMSD)

Common Name
6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
Systematic Name
2-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)-6-hydroxybenzoic acid
Synonyms
LM ID
LMPK15040005
Formula
C24H34O3
Exact Mass
Calculate m/z
370.250795
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Anacardic acids and derivatives [PK1504]

String Representations

InChiKey (Click to copy)
MBYMHCHZLAJVRK-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C(O)=O)=C(O)C=1

Other Databases

CHEBI ID
186627
PubChem CID
10067772

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 408.39
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.83
Molar Refractivity 113.42

Admin

Created at
-
Updated at
-