LIPID MAPS

Structure Database (LMSD)

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Common Name

6-((Z)-14-hydroxypentadec-8-en-1-yl)salicylic acid

Systematic Name

(Z)-2-hydroxy-6-(14-hydroxypentadec-8-en-1-yl)benzoic acid

Synonyms

LM ID

LMPK15040007

Formula

C₂₂H₃₄O₄

Exact Mass

Calculate m/z

362.24571

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

BUUUHHZTSPVKDX-HYXAFXHYSA-N

InChi (Click to copy)

InChI=1S/C22H34O4/c1-18(23)14-11-9-7-5-3-2-4-6-8-10-12-15-19-16-13-17-20(24)21(19)22(25)26/h3,5,13,16-18,23-24H,2,4,6-12,14-15H2,1H3,(H,25,26)/b5-3-

SMILES (Click to copy)

C1C=C(CCCCCCC/C=C\CCCCC(O)C)C(C(O)=O)=C(O)C=1

References

Other Databases

PubChem CID

126457715

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 387.86

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 5.76

Molar Refractivity 106.27

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