Structure Database (LMSD)

Common Name
Apo-8'-lycopenal
Systematic Name
8'-Apo-psi-caroten-8'-al
Synonyms
LM ID
LMPR01071061
Formula
C30H40O
Exact Mass
Calculate m/z
416.307916
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
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Carotene epoxides of Lycopersicon esculentum,
Phytochemistry, 1973
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

String Representations

InChiKey (Click to copy)
AQXFMDSHWVVBIM-DCLDNXSWSA-N
InChi (Click to copy)
InChI=1S/C30H40O/c1-25(2)14-10-17-28(5)19-12-21-29(6)20-11-18-26(3)15-8-9-16-27(4)22-13-23-30(7)24-31/h8-9,11-16,18-24H,10,17H2,1-7H3/b9-8+,18-11+,21-12+,22-13+,26-15+,27-16+,28-19+,29-20+,30-23+
SMILES (Click to copy)
C(/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(/C)\C=O

Other Databases

CHEBI ID
175335
PubChem CID
10949769
Carotenoid ID
CA00789

Calculated Physicochemical Properties

Heavy Atoms 31
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 507.31
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 8.89
Molar Refractivity 140.07

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Created at
31st Mar 2025
Updated at
31st Mar 2025