Structure Database (LMSD)

HO OH
Common Name
5-n-nonadecylresorcinol
Systematic Name
5-nonadecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030004
Formula
C25H44O2
Exact Mass
Calculate m/z
376.33413
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PUNOCEUUYUXUGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O2/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/h20-22,26-27H,2-19H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

HMDB ID
HMDB0030956
CHEBI ID
172608
PubChem CID
161858

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 18
Van der Waals Molecular Volume 427.46
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.29
Molar Refractivity 117.64

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Updated at
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