Structure Database (LMSD)

Common Name
Apo-4'-lycopenal
Systematic Name
4'-Apo-psi,psi-caroten-4'-al
Synonyms
LM ID
LMPR01070502
Formula
C35H46O
Exact Mass
Calculate m/z
482.354865
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
Neurospora crassa (#5141)
Sordariomycetes (#147550)
The oxygenase CAO-1 of Neurospora crassa is a resveratrol cleavage enzyme.,
Eukaryot Cell, 2013
Pubmed ID: 23893079

String Representations

InChiKey (Click to copy)
QPKNTQUMMSIKLQ-YMWARTTESA-N
InChi (Click to copy)
InChI=1S/C35H46O/c1-29(2)16-11-19-32(5)22-14-25-33(6)23-12-20-30(3)17-9-10-18-31(4)21-13-24-34(7)26-15-27-35(8)28-36/h9-10,12-18,20-28H,11,19H2,1-8H3/b10-9+,20-12+,21-13+,25-14+,26-15+,30-17+,31-18+,32-22+,33-23+,34-24+,35-27+
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=C(\C)/C=C/C=C(\C)/C=O

Other Databases

PubChem CID
50986183
Carotenoid ID
CA01122

Calculated Physicochemical Properties

Heavy Atoms 36
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 588.53
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 10.39
Molar Refractivity 162.97

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021