LIPID MAPS

Structure Database (LMSD)

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Common Name

19-methyl-7Z-eicosenoic acid

Systematic Name

19-methyl-7Z-eicosenoic acid

Synonyms

delta7-i-21:1

LM ID

LMFA01031166

Formula

C₂₁H₄₀O₂

Exact Mass

Calculate m/z

324.30283

Sum Composition

FA 21:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

WWLXQPINWFUSJJ-CLFYSBASSA-N

InChi (Click to copy)

InChI=1S/C21H40O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h7,9,20H,3-6,8,10-19H2,1-2H3,(H,22,23)/b9-7-

SMILES (Click to copy)

C(CCCCC/C=C\CCCCCCCCCCC(C)C)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bathysiphon (#212484)

New and Uncommon Fatty Acids in Lipids of Deep-Sea Foraminifera.,
Lipids, 2017

Pubmed ID: 28210982

Other Databases

PubChem CID

171118806

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 0

Aromatic Rings 0

Rotatable Bonds 17

Van der Waals Molecular Volume 384.16

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 7.13

Molar Refractivity 100.87

Admin

Created at

22nd Oct 2019

Updated at