Structure Database (LMSD)

Common Name
Wuhanic acid
Systematic Name
7R,18R-dihydroxy-15Z,21Z-tetracosadienoic acid
Synonyms
  • (7R,15Z,18 R,21Z)-7,18-dihydroxytetracosa-15,21-dienoic acid
LM ID
LMFA01050559
Formula
C24H44O4
Exact Mass
Calculate m/z
396.32396
Sum Composition
FA 24:2;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)
MYDDZMLKINSENR-TZWOSKRLSA-N
InChi (Click to copy)
InChI=1S/C24H44O4/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/h3-4,9,13,22-23,25-26H,2,5-8,10-12,14-21H2,1H3,(H,27,28)/b4-3-,13-9-/t22-,23-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@H](O)CCCCCCC/C=C\C[C@H](O)CC/C=C\CC)(=O)O

Other Databases

CHEBI ID
168300
PubChem CID
137323799

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 451.00
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.74
Molar Refractivity 118.50

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Updated at
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