LIPID MAPS

Structure Database (LMSD)

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Common Name

11-oxotriacontanoic acid

Systematic Name

11-keto-triacontanoic acid

Synonyms

LM ID

LMFA01060257

Formula

C₃₀H₅₈O₃

Exact Mass

Calculate m/z

466.438595

Sum Composition

FA 30:1;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Papaver somniferum (#3469)

Magnoliopsida (#3398)

[A KETOIC ACID FROM THE SEEDS OF PAPAVER SOMNIFERUM L].,
Yakugaku Zasshi, 1964

Pubmed ID: 14193922

Argemone mexicana (#54796)

Magnoliopsida (#3398)

Fatty acids, part 51. The long-chain oxo acids (argemonic acid) in Argemone mexicana seed oil,
Chem Phys Lipids, 1977

DOI: 10.1016/0009-3084(77)90073-1

String Representations

InChiKey (Click to copy)

HZSPEMFCEKPTSF-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C30H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30(32)33/h2-28H2,1H3,(H,32,33)

SMILES (Click to copy)

C(CCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID

5320340

Calculated Physicochemical Properties

Heavy Atoms 33

Rings

Aromatic Rings

Rotatable Bonds 28

Van der Waals Molecular Volume 548.65

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 10.19

Molar Refractivity 142.98

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Created at

25th Mar 2024

Updated at