Structure Database (LMSD)

Common Name
Zeaxanthin diglucoside
Systematic Name
(3R,3'R)-3,3'-Di(β-D-glucopyranosyloxy)-β,β-carotene
Synonyms
  • Zeaxanthin beta-D-diglucoside
LM ID
LMPR01070099
Formula
Exact Mass
Calculate m/z
892.53368
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pantoea ananatis (#553)
Gammaproteobacteria (#1236)
Elucidation of the Erwinia uredovora carotenoid biosynthetic pathway by functional analysis of gene products expressed in Escherichia coli.,
J Bacteriol, 1990
Pubmed ID: 2254247

String Representations

InChiKey (Click to copy)
DHNSFMNURMJEQV-OIBMWOCGSA-N
InChi (Click to copy)
InChI=1S/C52H76O12/c1-31(17-13-19-33(3)21-23-39-35(5)25-37(27-51(39,7)8)61-49-47(59)45(57)43(55)41(29-53)63-49)15-11-12-16-32(2)18-14-20-34(4)22-24-40-36(6)26-38(28-52(40,9)10)62-50-48(60)46(58)44(56)42(30-54)64-50/h11-24,37-38,41-50,53-60H,25-30H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,31-15+,32-16+,33-19+,34-20+/t37-,38-,41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1
SMILES (Click to copy)
[C@@H]1(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C)C(C)(C)C1)C

Other Databases

CHEBI ID
LIPIDBANK ID
VCA1017
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 4
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 935.16
Topological Polar Surface Area 202.90
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 10.20
Molar Refractivity 256.56

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Created at
-
Updated at
5th Oct 2022