Structure Database (LMSD)

Common Name
2,6-Cyclolycopene-1,5-diol
Systematic Name
1,2,5,6-Tetrahydro-2,6-cyclo-psi,psi-carotene-1,5-diol
Synonyms
LM ID
LMPR01070429
Formula
C40H58O2
Exact Mass
Calculate m/z
570.44368
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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 of lutein and zeaxanthin oxidation products in human and monkey retinas.,
Invest Ophthalmol Vis Sci, 1997
Pubmed ID: 9286269

String Representations

InChiKey (Click to copy)
VDFVQEJGOSCZNZ-HNNISBQLSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
SMILES (Click to copy)
C1(C(O)(C)CCC1C(O)(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=C(\C)/C

Other Databases

CHEBI ID
181744
PubChem CID
9894294
Carotenoid ID
CA00085

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 676.74
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.37
Molar Refractivity 187.31

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Created at
17th Nov 2021
Updated at
22nd Nov 2021