Structure Database (LMSD)

Common Name
15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid
Systematic Name
15-hydroxy-6Z,9Z,12Z,16E,18Z-tetracosapentaenoic acid
Synonyms
  • 15-HTPE
LM ID
LMFA01050438
Formula
C24H38O3
Exact Mass
Calculate m/z
374.282095
Sum Composition
FA 24:5;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WCPFNHAOKQUJEV-YQUHDJBSSA-N
InChi (Click to copy)
InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sinularia numerosa (#668470)
Anthozoa (#6101)
A new antiangiogenic C24 oxylipin from the soft coral Sinularia numerosa.,
Bioorg Med Chem, 2009
Pubmed ID: 19036594

Other Databases

CHEBI ID
66039
PubChem CID
44581450

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 434.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.81
Molar Refractivity 116.32

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Created at
-
Updated at
27th May 2020