Structure Database (LMSD)

Common Name
Nebraskanic acid
Systematic Name
7R,18R-dihydroxy-15Z-tetracosenoic acid
Synonyms
  • (7R,15Z,18R)-7,18-dihydroxytetracosa-15-monoenoic acid
LM ID
LMFA01050558
Formula
C24H46O4
Exact Mass
Calculate m/z
398.33961
Sum Composition
FA 24:1;O2
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Orychophragmus violaceus (#71234)
Magnoliopsida (#3398)
Discontinuous fatty acid elongation yields hydroxylated seed oil with improved function.,
Nat Plants, 2018
Pubmed ID: 30150614

String Representations

InChiKey (Click to copy)
XTSZRMFZUAMBRN-FIIQTUGESA-N
InChi (Click to copy)
InChI=1S/C24H46O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h9,13,22-23,25-26H,2-8,10-12,14-21H2,1H3,(H,27,28)/b13-9-/t22-,23-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@H](O)CCCCCCC/C=C\C[C@H](O)CCCCCC)(=O)O

Other Databases

CHEBI ID
169274
PubChem CID
134695209

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 453.64
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.96
Molar Refractivity 118.59

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Updated at
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