Structure Database (LMSD)

Common Name
Aleuriaxanthin
Systematic Name
(2'R)-1',16'-Didehydro-1',2'-dihydro-β,psi-caroten-2'-ol
Synonyms
LM ID
LMPR01070517
Formula
Exact Mass
Calculate m/z
552.433116
Status
Curated

Classification

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Discina gigas (#1032678)
Pezizomycetes (#147549)
Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae

String Representations

InChiKey (Click to copy)
QNZZRCYICVHHEE-AYSHKJLBSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-/m1/s1
SMILES (Click to copy)
C1C(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)/CC[C@@H](O)C(C)=C)=C(C)CC1

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 665.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.03
Molar Refractivity 185.38

Admin

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