LIPID MAPS

Structure Database (LMSD)

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Common Name

4-Methyl-3-heptyl palmitoleate

Systematic Name

4-Methyl-3-heptyl 9Z-hexadecenoate

Synonyms

WE(5:0(1Et,2Me)/16:1(9Z))

LM ID

LMFA07010659

Formula

C₂₄H₄₆O₂

Exact Mass

Calculate m/z

366.34978

Sum Composition

WE 24:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

SXBQGMISTDXSCC-SEYXRHQNSA-N

InChi (Click to copy)

InChI=1S/C24H46O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h12-13,22-23H,5-11,14-21H2,1-4H3/b13-12-

SMILES (Click to copy)

O=C(CCCCCCC/C=C\CCCCCC)OC(CC)C(C)CCC

References

Comments

Pherobase Semiochemicals

Other Databases

PubChem CID

56936032

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 0

Aromatic Rings 0

Rotatable Bonds 19

Van der Waals Molecular Volume 436.06

Topological Polar Surface Area 26.30

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 8.29

Molar Refractivity 114.97

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