Structure Database (LMSD)

Common Name
Dihydroxylycopene glucoside
Systematic Name
1-(β-D-glucopyranosyloxy)-1,2,1',2'-tetrahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070453
Formula
Exact Mass
Calculate m/z
734.512155
Status
Active

Classification

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaeospirillum (#85265)
Alphaproteobacteria (#28211)
Genus specific unusual carotenoids in purple bacteria, Phaeospirillum and Roseospira: structures and biosyntheses.,
Curr Microbiol, 2011
Pubmed ID: 21547544
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)
JRTHOMNAXRJSRF-XYDFVLFWSA-N
InChi (Click to copy)
InChI=1S/C46H70O7/c1-34(21-13-23-36(3)25-15-27-38(5)29-17-31-45(7,8)51)19-11-12-20-35(2)22-14-24-37(4)26-16-28-39(6)30-18-32-46(9,10)53-44-43(50)42(49)41(48)40(33-47)52-44/h11-16,19-28,40-44,47-51H,17-18,29-33H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,34-19+,35-20+,36-23+,37-24+,38-27+,39-28+/t40-,41-,42+,43-,44+/m1/s1
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(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)/CCCC(O)(C)C

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 824.49
Topological Polar Surface Area 121.68
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 11.44
Molar Refractivity 225.25

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