Structure Database (LMSD)

Common Name
Cratenin
Systematic Name
Tetrahydro-2R-(1E,3Z,6Z,9Z,12Z,15Z-octadecahexaenyl)-furan
Synonyms
LM ID
LMFA12000408
Formula
C22H32O
Exact Mass
Calculate m/z
312.245316
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cratena peregrina (#154642)
Gastropoda (#6448)
Cratenin, a Rare Oxylipin Marking Kleptopredation in Aeolid Nudibranchs.,
J Nat Prod, 2026
Pubmed ID: 41482996

String Representations

InChiKey (Click to copy)
DTLVBVSAQZNEOP-ZIOVOTRDSA-N
InChi (Click to copy)
InChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22/h3-4,6-7,9-10,12-13,15-17,19,22H,2,5,8,11,14,18,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-17+/t22-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCCO1)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 369.75
Topological Polar Surface Area 11.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 7.04
Molar Refractivity 103.58

Admin

Created at
14th Jan 2026
Updated at
14th Jan 2026