LIPID MAPS

Structure Database (LMSD)

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Common Name

2-propyl-9Z-octadecenoic Acid

Systematic Name

2-propyl-9Z-octadecenoic Acid

Synonyms

LM ID

LMFA01020135

Formula

C₂₁H₄₀O₂

Exact Mass

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324.30283

Sum Composition

FA 21:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

String Representations

InChiKey (Click to copy)

QWGQAJUZRWMSJR-QXMHVHEDSA-N

InChi (Click to copy)

InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H,22,23)/b12-11-

SMILES (Click to copy)

C(CCCCCC(CCC)C(=O)O)/C=C\CCCCCCCC

Other Databases

CHEBI ID

184176

LIPIDBANK ID

DFA7103

PubChem CID

5282674

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

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