LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5-(12S-hydroxy-8Z,14Z-heptadecadienyl) resorcinol

Synonyms

LM ID

LMPK15030054

Formula

C₂₃H₃₆O₃

Exact Mass

Calculate m/z

360.266445

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

VWQPNCPIVYGVMV-NYUKNHBNSA-N

InChi (Click to copy)

InChI=1S/C23H36O3/c1-2-3-11-15-21(24)16-13-10-8-6-4-5-7-9-12-14-20-17-22(25)19-23(26)18-20/h3,8,10-11,17-19,21,24-26H,2,4-7,9,12-16H2,1H3/b10-8-,11-3-/t21-/m1/s1

SMILES (Click to copy)

C(CCCCCC/C=C\CC[C@H](O)C/C=C\CC)C1=CC(O)=CC(O)=C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Stylogyne turbacensis (#681493)

Magnoliopsida (#3398)

Hydroxyalkenylresorcinols from Stylogyne turbacensis.,
J Nat Prod, 2007

Pubmed ID: 17629327

Other Databases

PubChem CID

23626635

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 396.37

Topological Polar Surface Area 60.69

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 6.32

Molar Refractivity 110.12

Admin

Created at

3rd Dec 2020

Updated at