Structure Database (LMSD)

Common Name
Dihydroxyneurosporene
Systematic Name
1,2,7,8,1',2'-Hexahydro-psi,psi-carotene-1,1'-diol
Synonyms
  • OH-Chloroxanthin
LM ID
LMPR01070212
Formula
Exact Mass
Calculate m/z
574.47498
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rubrivivax gelatinosus (#28068)
Betaproteobacteria (#28216)
Heterologous expression, purification, and enzymatic characterization of the acyclic carotenoid 1,2-hydratase from Rubrivivax gelatinosus.,
Arch Biochem Biophys, 2003
Pubmed ID: 12745254

String Representations

InChiKey (Click to copy)
YBUVIHJIZVAODP-ZDVIUYNHSA-N
InChi (Click to copy)
InChI=1S/C40H62O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,19-25,27-28,41-42H,16-18,26,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
CC(C)(O)CCC/C(/C)=C/CC/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)(O)C

Other Databases

CHEBI ID
LIPIDBANK ID
VCA1130
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 691.74
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 12.12
Molar Refractivity 189.66

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Created at
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Updated at
7th Feb 2024