Structure Database (LMSD)

Common Name
5-((8Z,11Z)-nonadeca-8,11-dien-1-yl)resorcinol
Systematic Name
5-((8Z,11Z)-nonadeca-8,11-dien-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030032
Formula
C25H40O2
Exact Mass
Calculate m/z
372.30283
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
PFVKWRMTQZHZLM-MURFETPASA-N
InChi (Click to copy)
1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h8-9,11-12,20-22,26-27H,2-7,10,13-19H2,1H3/b9-8-,12-11-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\C/C=C\CCCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
186960
PubChem CID
126457711

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 422.18
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.84
Molar Refractivity 117.45

Admin

Created at
-
Updated at
-