Structure Database (LMSD)

Common Name
6-((Z)-heptadec-8-en-1-yl)salicylic acid
Systematic Name
(Z)-2-hydroxy-6-(heptadec-8-en-1-yl)benzoic acid
Synonyms
LM ID
LMPK15040006
Formula
C24H38O3
Exact Mass
Calculate m/z
374.282095
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Anacardic acids and derivatives [PK1504]

String Representations

InChiKey (Click to copy)
NRSDQEWAMHRTMK-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\CCCCCCCC)C(C(O)=O)=C(O)C=1

Other Databases

CHEBI ID
193466
PubChem CID
10384819

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 413.67
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.28
Molar Refractivity 113.61

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Created at
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Updated at
28th Apr 2021