Structure Database (LMSD)
Common Name
Gelliodesxanthin
Systematic Name
3-Hydroxy-4-oxo-3',4'-didehydro-2'-apo-β,psi-caroten-2'-al
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Gelliodesxanthin
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)
VFPVMIPMYVASLR-TUCGVVRASA-N
InChi (Click to copy)
InChI=1S/C37H46O3/c1-28(17-11-19-30(3)20-12-21-31(4)23-14-26-38)15-9-10-16-29(2)18-13-22-32(5)24-25-34-33(6)36(40)35(39)27-37(34,7)8/h9-26,35,39H,27H2,1-8H3/b10-9+,17-11+,18-13+,20-12+,23-14+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+
SMILES (Click to copy)
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/C1C(C)(C)CC(O)C(=O)C=1C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gelliodes callista
(#1336858)
Demospongiae
(#6042)
A new aldehydic carotenoid gelliodesxanthin from sea sponge Gelliodes callista,
Nippon Suisan Gakkaishi, 1987
Nippon Suisan Gakkaishi, 1987
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
1
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
625.71
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
9.22
Molar Refractivity
172.31
Admin
Created at
17th Nov 2021
Updated at
30th Nov 2021