Structure Database (LMSD)

Common Name
Apo-14'-lycopenal
Systematic Name
14'-Apo-psi-caroten-14'-al
Synonyms
LM ID
LMPR01071065
Formula
C22H30O
Exact Mass
Calculate m/z
310.229666
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Identification and quantification of apo-lycopenals in fruits, vegetables, and human plasma.,
J Agric Food Chem, 2010
Pubmed ID: 20178389
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Identification and quantification of apo-lycopenals in fruits, vegetables, and human plasma.,
J Agric Food Chem, 2010
Pubmed ID: 20178389

String Representations

InChiKey (Click to copy)
GIKHYDJRGRLGLM-UBSLRWKGSA-N
InChi (Click to copy)
InChI=1S/C22H30O/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23/h6-7,9-12,14-18H,8,13H2,1-5H3/b7-6+,14-9+,17-10+,20-12+,21-15+,22-16+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=O

Other Databases

PubChem CID
57338879
Carotenoid ID
CA01220

Calculated Physicochemical Properties

Heavy Atoms 23
Rings
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 376.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 6.44
Molar Refractivity 103.42

Admin

Created at
1st Apr 2025
Updated at
1st Apr 2025