LIPID MAPS

Structure Database (LMSD)

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Common Name

Gondoyl-linolenate

Systematic Name

11Z-eicosenyl 9Z,12Z,15Z-octadecatrienoate

Synonyms

WE(20:1(11Z)/18:3(9Z,12Z,15Z))

LM ID

LMFA07010686

Formula

C₄₀H₇₂O₂

Exact Mass

Calculate m/z

584.55323

Sum Composition

WE 40:4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

VENRANXIYUDIIM-PMDIKQDQSA-N

InChi (Click to copy)

InChI=1S/C40H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,24H,3-5,7,9-11,13,15-17,19,22-23,25-39H2,1-2H3/b8-6-,14-12-,21-20-,24-18-

SMILES (Click to copy)

O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OCCCCCCCCCC/C=C\CCCCCCCCCC

Other Databases

CHEBI ID

187550

PubChem CID

73242175

Calculated Physicochemical Properties

Heavy Atoms 42

Rings 0

Aromatic Rings 0

Rotatable Bonds 34

Van der Waals Molecular Volume 704.94

Topological Polar Surface Area 26.30

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 14.00

Molar Refractivity 188.63

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