LIPID MAPS

Structure Database (LMSD)

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Common Name

Isopalmitic acid

Systematic Name

14-methyl-pentadecanoic acid

Synonyms

14-methyl pentadecylic acid
Isohexadecanoic acid

LM ID

LMFA01020010

Formula

C₁₆H₃₂O₂

Exact Mass

Calculate m/z

256.24023

Sum Composition

FA 16:0

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)

ZONJATNKKGGVSU-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

SMILES (Click to copy)

C(CCCC(C)C)CCCCCCCCC(=O)O

Other Databases

HMDB ID

HMDB0031068

CHEBI ID

84890

LIPIDBANK ID

DFA0235

PubChem CID

36247

PlantFA ID

10204

Cayman ID

36459

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 300.30

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.41

Molar Refractivity 77.88

Admin

Created at

Updated at

9th Jun 2022