Structure Database (LMSD)

Common Name
5-n-heptadecylresorcinol
Systematic Name
5-heptadecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030003
Formula
C23H40O2
Exact Mass
Calculate m/z
348.30283
Status
Active
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)
BBGNINPPDHJETF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1

Other Databases

HMDB ID
HMDB0038530
CHEBI ID
145967
PubChem CID
181700

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 392.86
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.51
Molar Refractivity 108.40

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Updated at
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