LIPID MAPS

Structure Database (LMSD)

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Common Name

Apo-6'-lycopenal

Systematic Name

6'-Apo-psi-caroten-6'-al

Synonyms

Apo-2-lycopenal

LM ID

LMPR01071058

Formula

C₃₂H₄₂O

Exact Mass

Calculate m/z

442.323566

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

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

DOI: 10.1016/0031-9422(73)85095-2

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)

ZXEPHOYZDSLBJV-CQOAVJQGSA-N

InChi (Click to copy)

InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3/b9-8+,19-11+,20-12+,23-13+,25-14+,28-16+,29-17+,30-21+,31-22+,32-24+

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=C\C=O

Other Databases

CHEBI ID

176126

PubChem CID

20055192

Carotenoid ID

CA00790

Calculated Physicochemical Properties

Heavy Atoms 33

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 539.27

Topological Polar Surface Area 17.07

Hydrogen Bond Donors

Hydrogen Bond Acceptors 1

logP 9.44

Molar Refractivity 149.21

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Created at

31st Mar 2025

Updated at