Structure Database (LMSD)

Common Name
30:3(5Z,9Z,23Z)
Systematic Name
5Z,9Z,23Z-triacontatrienoic acid
Synonyms
  • C30:3n-7,21,25
LM ID
LMFA01030872
Formula
C30H54O2
Exact Mass
Calculate m/z
446.41238
Sum Composition
FA 30:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hexactinellida (#60882)
Non-methylene-interrupted fatty acids from marine invertebrates: Occurrence, characterization and biological properties.,
Biochimie, 2009
Pubmed ID: 19376188

String Representations

InChiKey (Click to copy)
IDQDSPDHYZOBIF-QELXEAEKSA-N
InChi (Click to copy)
InChI=1S/C30H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h7-8,21-22,25-26H,2-6,9-20,23-24,27-29H2,1H3,(H,31,32)/b8-7-,22-21-,26-25-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCC/C=C\CCCCCC)(=O)O

Other Databases

PubChem CID
52921840

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 534.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.34
Molar Refractivity 142.30

Admin

Created at
-
Updated at
25th Apr 2022