Structure Database (LMSD)
Common Name
4,4'-Diaplycopene-4,4'-dioic acid
Systematic Name
4,4'-Diapo-psi,psi-carotene-4,4'-dioic acid
Synonyms
3D model of 4,4'-Diaplycopene-4,4'-dioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Methylorubrum rhodinum
(#29428)
Alphaproteobacteria
(#28211)
On the biosynthesis of C30 carotenoic acid glucosyl esters in Pseudomonas rhodos. Analysis of car-mutants,
Zeitschrift fur Naturforschung C, 1982
Zeitschrift fur Naturforschung C, 1982
Staphylococcus aureus
(#1280)
Bacilli
(#91061)
Identification of a carotenoid oxygenase synthesizing acyclic xanthophylls: combinatorial biosynthesis and directed evolution.,
Chem Biol, 2005
Chem Biol, 2005
Pubmed ID:
15850982
Cytobacillus firmus
(#1399)
Bacilli
(#91061)
Biosynthesis of a novel C30 carotenoid in Bacillus firmus isolates.,
J Appl Microbiol, 2012
J Appl Microbiol, 2012
Pubmed ID:
22738026
String Representations
InChiKey (Click to copy)
YMOJEHLMENKTSQ-GVCQAPIFSA-N
InChi (Click to copy)
InChI=1S/C30H36O4/c1-23(15-9-17-25(3)19-11-21-27(5)29(31)32)13-7-8-14-24(2)16-10-18-26(4)20-12-22-28(6)30(33)34/h7-22H,1-6H3,(H,31,32)(H,33,34)/b8-7+,15-9+,16-10+,19-11+,20-12+,23-13+,24-14+,25-17+,26-18+,27-21+,28-22+
SMILES (Click to copy)
C(=C(/C(=O)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(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
528.40
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
7.61
Molar Refractivity
143.51
Admin
Created at
17th Nov 2021
Updated at
19th Nov 2021