Structure Database (LMSD)

Common Name
Hydroxyclathriaxanthin
Systematic Name
3,16'-Dihydroxy-β,chi-caroten-4-one
Synonyms
LM ID
LMPR01070999
Formula
C40H50O3
Exact Mass
Calculate m/z
578.375995
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Linckia laevigata (#109185)
Asteroidea (#7588)
Studies on a blue carotenoprotein, linckiacyanin, isolated from the starfish Linckia laevigata (Echinodermata: Asteroidea),
Comp Biochem Physiol B, 1989

String Representations

InChiKey (Click to copy)
UCKJRRHYEUZHEE-JPKZUVCWSA-N
InChi (Click to copy)
InChI=1S/C40H50O3/c1-28(16-12-18-30(3)20-23-35-24-22-32(5)33(6)36(35)27-41)14-10-11-15-29(2)17-13-19-31(4)21-25-37-34(7)39(43)38(42)26-40(37,8)9/h10-25,38,41-42H,26-27H2,1-9H3/b11-10+,16-12+,17-13+,23-20+,25-21+,28-14+,29-15+,30-18+,31-19+
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=CC=C(C)C(C)=C2CO)=C(C)C(=O)C1O

Other Databases

PubChem CID
171120359
Carotenoid ID
CA00735

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 654.35
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 9.78
Molar Refractivity 185.08

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Created at
17th Nov 2021
Updated at
10th Jan 2022