Structure Database (LMSD)

Common Name
Methoxyhydroxylycopene glucoside
Systematic Name
1-(β-D-Glucopyranosyloxy)-1'-methoxy-1,2,1',2'-tetrahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070454
Formula
C47H72O7
Exact Mass
Calculate m/z
748.527805
Status
Active
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
Halorhodospira abdelmalekii (#421629)
Gammaproteobacteria (#1236)
Dihydroxylycopene diglucoside diesters: a novel class of carotenoids from the phototrophic purple sulfur bacteria Halorhodospira abdelmalekii and Halorhodospira halochloris.,
Arch Microbiol, 2001
Pubmed ID: 11357508

String Representations

InChiKey (Click to copy)
HYLHXXFZWPOZPL-OAOAFOETSA-N
InChi (Click to copy)
InChI=1S/C47H72O7/c1-35(22-14-24-37(3)26-16-28-39(5)30-18-32-46(7,8)52-11)20-12-13-21-36(2)23-15-25-38(4)27-17-29-40(6)31-19-33-47(9,10)54-45-44(51)43(50)42(49)41(34-48)53-45/h12-17,20-29,41-45,48-51H,18-19,30-34H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,35-20+,36-21+,37-24+,38-25+,39-28+,40-29+/t41-,42-,43+,44-,45+/m1/s1
SMILES (Click to copy)
C(=C(/C)\CCCC(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(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)/CCCC(C)(OC)C

Other Databases

PubChem CID
101719744
Carotenoid ID
CA00104

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 1
Aromatic Rings
Rotatable Bonds 22
Van der Waals Molecular Volume 841.79
Topological Polar Surface Area 110.68
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 12.10
Molar Refractivity 230.04

Admin

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