Structure Database (LMSD)
Common Name
Dihydroxypirardixanthin
Systematic Name
(4S,5S,6S,4'S,5'S,6'S)-5,6,5',6',-Tetrahydro-β,β-carotene-4,4'-diol
Synonyms
- 4,4'-dihydroxypirardixanthin
No other lipid differing only in stereochemistry/bond geometry found
3D model of Dihydroxypirardixanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JNTVTBGQHNNOKM-XARAUNOHSA-N
InChi (Click to copy)
InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35?,36?,37-,38-/m0/s1
SMILES (Click to copy)
C1C(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/C2[C@H](C)[C@@H](O)CCC2(C)C)[C@H](C)[C@@H](O)C1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Hydra
(#6083)
Hydrozoa
(#6074)
Some carotenoids in Hydra.,
Comp Biochem Physiol, 1965
Comp Biochem Physiol, 1965
Pubmed ID:
4379504
Fusinus
(#6487)
Gastropoda
(#6448)
Carotenoids of shellfishes—VIII. Comparative biochemical studies of carotenoids in three species of spindle shell, Fusinus perplexus, F. perplexus ferrugineus and F. forceps,
Comparative Biochemistry and Physiology, 1986
Comparative Biochemistry and Physiology, 1986
Other Databases
Carotenoid ID
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
669.66
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
10.99
Molar Refractivity
185.10
Admin
Created at
17th Nov 2021
Updated at
9th May 2022