Structure Database (LMSD)

Common Name
Apo-10'-lycopenal
Systematic Name
10'-Apo-psi-caroten-10'-al
Synonyms
LM ID
LMPR01071063
Formula
C27H36O
Exact Mass
Calculate m/z
376.276616
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)
IVMLONFHZYZDNZ-XILPBBIVSA-N
InChi (Click to copy)
InChI=1S/C27H36O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-22H,9,16H2,1-6H3/b8-7+,17-10+,20-11+,21-12+,24-14+,25-15+,26-18+,27-19+
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=C(\C)/C=C/C=O

Other Databases

PubChem CID
13940474
Carotenoid ID
CA01148

Calculated Physicochemical Properties

Heavy Atoms 28
Rings
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 458.05
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 7.94
Molar Refractivity 126.32

Admin

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