LIPID MAPS

Structure Database (LMSD)

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Common Name

(Z)-5-(heptadec-10-en-1-yl)resorcinol

Systematic Name

(Z)-5-(heptadec-10-en-1-yl)benzene-1,3-diol

Synonyms

LM ID

LMPK15030025

Formula

C₂₃H₃₈O₂

Exact Mass

Calculate m/z

346.28718

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)

VBBLHZOJAWSCSP-FPLPWBNLSA-N

InChi (Click to copy)

InChI=1S/C23H38O2/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/h7-8,18-20,24-25H,2-6,9-17H2,1H3/b8-7-

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCC/C=C\CCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID

44575480

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 390.22

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 7.29

Molar Refractivity 108.31

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