Structure Database (LMSD)

Common Name
5-((7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraen-1-yl)resorcinol
Systematic Name
5-((7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraen-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030033
Formula
C25H36O2
Exact Mass
Calculate m/z
368.27153
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)
JTGHOMGAWPTPRU-LTKCOYKYSA-N
InChi (Click to copy)
1S/C25H36O2/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/h3-4,6-7,9-10,12-13,20-22,26-27H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-
SMILES (Click to copy)
C1(O)C=C(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1

Other Databases

CHEBI ID
187049
PubChem CID
15719519

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 416.90
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.40
Molar Refractivity 117.26

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Updated at
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