LIPID MAPS

Structure Database (LMSD)

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Common Name

27-Hydroxyoctacosanoic acid

Systematic Name

27-Hydroxyoctacosanoic acid

Synonyms

LM ID

LMFA01050590

Formula

C₂₈H₅₆O₃

Exact Mass

Calculate m/z

440.422945

Sum Composition

FA 28:0;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GVOCNLPJMKEXLA-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C28H56O3/c1-27(29)25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rhizobium (#379)

Alphaproteobacteria (#28211)

Occurrence of lipid A variants with 27-hydroxyoctacosanoic acid in lipopolysaccharides from members of the family Rhizobiaceae.,
J. Bacteriol., 1991

Pubmed ID: 2007543

DOI: 10.1128/jb.173.7.2155-2159.1991

Other Databases

PubChem CID

129510

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 0

Aromatic Rings 0

Rotatable Bonds 26

Van der Waals Molecular Volume 516.69

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 9.49

Molar Refractivity 135.25

Admin

Created at

17th Nov 2020

Updated at