Structure Database (LMSD)

Common Name
Axillarenic acid
Systematic Name
11,13-dihydroxy-9E-tetracosenoic acid
Synonyms
  • 24:1(9E)(11OH,13OH)
  • Axillaric acid
LM ID
LMFA01050418
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
Baliospermum (#316757)
Magnoliopsida (#3398)
New hydroxy fatty acid from seed oil of Baliospermum axillare,
Phytochemistry, 1980

String Representations

InChiKey (Click to copy)
AKVZFALHMAASOY-KNTRCKAVSA-N
InChi (Click to copy)
InChI=1S/C24H46O4/c1-2-3-4-5-6-7-9-12-15-18-22(25)21-23(26)19-16-13-10-8-11-14-17-20-24(27)28/h16,19,22-23,25-26H,2-15,17-18,20-21H2,1H3,(H,27,28)/b19-16+
SMILES (Click to copy)
C(CCCCCCC/C=C/C(O)CC(O)CCCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
187234
PubChem CID
52921865
PlantFA ID
10547

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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