Structure Database (LMSD)

Common Name
Dihydroxylycopene diglucoside
Systematic Name
1,1'-Di-(β-D-glucopyranosyloxy)-1,2,1',2'-tetrahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070458
Formula
Exact Mass
Calculate m/z
896.56498
Status
Curated

Classification

Biological Context

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)
ZJEXZWYLJSEOID-PYCHGLIGSA-N
InChi (Click to copy)
InChI=1S/C52H80O12/c1-35(21-13-23-37(3)25-15-27-39(5)29-17-31-51(7,8)63-49-47(59)45(57)43(55)41(33-53)61-49)19-11-12-20-36(2)22-14-24-38(4)26-16-28-40(6)30-18-32-52(9,10)64-50-48(60)46(58)44(56)42(34-54)62-50/h11-16,19-28,41-50,53-60H,17-18,29-34H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,35-19+,36-20+,37-23+,38-24+,39-27+,40-28+/t41-,42-,43-,44-,45+,46+,47-,48-,49+,50+/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@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)C

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 2
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 959.88
Topological Polar Surface Area 202.90
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 10.98
Molar Refractivity 260.93

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Created at
17th Nov 2021
Updated at
23rd Nov 2021