Structure Database (LMSD)

Common Name
Phillipsiaxanthin
Systematic Name
1,1'-Dihydroxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-2,2'-dione
Synonyms
  • 1,1'-(OH)2-2,2'-diketo-3,4,3',4'-tetradehydrolycopene
LM ID
LMPR01070215
Formula
Exact Mass
Calculate m/z
596.38656
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phillipsia (#51151)
Pezizomycetes (#147549)
[Chemotaxonomic research on fungi. Fungal carotenoids. IV. Carotenoids of Phillipsia carminea (Pat.) Le Gal; isolation and identification of a new natural xanthophyll].,
Bull Soc Chim Biol (Paris), 1967
Pubmed ID: 6059790
Rubrivivax gelatinosus (#28068)
Betaproteobacteria (#28216)
Characterization of unusual hydroxy- and ketocarotenoids in Rubrivivax gelatinosus: involvement of enzyme CrtF or CrtA.,
Arch Microbiol, 2003
Pubmed ID: 12664193

String Representations

InChiKey (Click to copy)
UERCYYLOKQAWFG-ZDXQBWOGSA-N
InChi (Click to copy)
InChI=1S/C40H52O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,43-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+
SMILES (Click to copy)
CC(C)(O)C(=O)/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/C=C(\C)/C=C/C(=O)C(C)(O)C

Other Databases

LIPIDBANK ID
VCA1133
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 696.12
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 9.81
Molar Refractivity 190.16

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Created at
-
Updated at
9th May 2022