Structure Database (LMSD)

HO OH
Common Name
5-n-tricosylresorcinol
Systematic Name
5-tricosylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030006
Formula
C29H52O2
Exact Mass
Calculate m/z
432.39673
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)
OHTBGMREZYLZQD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

HMDB ID
HMDB0038524
CHEBI ID
145969
PubChem CID
155462
Cayman ID
30032

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 1
Aromatic Rings 1
Rotatable Bonds 22
Van der Waals Molecular Volume 496.66
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 9.85
Molar Refractivity 136.11

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Updated at
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