Structure Database (LMSD)

Common Name
Progigneic acid
Systematic Name
20Z,23Z-triacontadienoic acid
Synonyms
  • C30:2n-7,10
LM ID
LMFA01031352
Formula
C30H56O2
Exact Mass
Calculate m/z
448.42803
Sum Composition
FA 30:2
Status
Curated
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
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

String Representations

InChiKey (Click to copy)
AIKZOXWGTRKSAP-NQLNTKRDSA-N
InChi (Click to copy)
InChI=1S/C30H56O2/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/h7-8,10-11H,2-6,9,12-29H2,1H3,(H,31,32)/b8-7-,11-10-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC/C=C\C/C=C\CCCCCC)(=O)O

Other Databases

CHEBI ID
197312
PubChem CID
168499388

Calculated Physicochemical Properties

Heavy Atoms 32
Rings
Aromatic Rings
Rotatable Bonds 26
Van der Waals Molecular Volume 537.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.57
Molar Refractivity 142.40

Admin

Created at
20th Jul 2023
Updated at
20th Jul 2023