Structure Database (LMSD)

Common Name
DL-Cerebronic acid
Systematic Name
2-hydroxy-tetracosanoic acid
Synonyms
  • Phrenosinic acid
  • Phrenosic acid
LM ID
LMFA01050080
Formula
C24H48O3
Exact Mass
Calculate m/z
384.360345
Sum Composition
FA 24:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Synthesis of cerebronic acid from lignoceric acid by rat brain preparation. Some properties and distribution of the -hydroxylation system.,
J Biol Chem, 1973
Pubmed ID: 4145326

String Representations

InChiKey (Click to copy)
MSUOLNSQHLHDAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)C(=O)O)CCCCCCCCCC

Other Databases

HMDB ID
HMDB0039540
CHEBI ID
61302
LIPIDBANK ID
DFA0346
PubChem CID
102430
PlantFA ID
10268
SwissLipids ID
SLM:000000830
Cayman ID
22680

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 447.49
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.93
Molar Refractivity 116.79

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Created at
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Updated at
6th Feb 2024