Structure Database (LMSD)

Common Name
Nonaflavuxanthin
Systematic Name
2-(4-Hydroxy-3-methylbut-2-enyl)-1,3,4,16-tetradehydro-1,2-dihydro-psi,psi-carotene
Synonyms
LM ID
LMPR01080012
Formula
C45H62O
Exact Mass
Calculate m/z
618.480065
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Corynebacterium glutamicum (#1718)
Actinomycetes (#1760)
Detailed biosynthetic pathway to decaprenoxanthin diglucoside in Corynebacterium glutamicum and identification of novel intermediates.,
Arch Microbiol, 2001
Pubmed ID: 11511870

String Representations

InChiKey (Click to copy)
UCNSJZXDWHQPTM-HJTQPQEFSA-N
InChi (Click to copy)
InChI=1S/C45H62O/c1-36(2)19-14-22-40(7)25-17-28-41(8)26-15-23-38(5)20-12-13-21-39(6)24-16-27-42(9)29-18-30-43(10)31-33-45(37(3)4)34-32-44(11)35-46/h12-13,15-21,23-33,45-46H,3,14,22,34-35H2,1-2,4-11H3/b13-12+,23-15+,24-16+,28-17+,29-18+,33-31+,38-20+,39-21+,40-25+,41-26+,42-27+,43-30+,44-32+
SMILES (Click to copy)
C(=C(/C)\C=C\C(C/C=C(/CO)\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)/CC/C=C(\C)/C

Other Databases

PubChem CID
102303871
Carotenoid ID
CA00908

Calculated Physicochemical Properties

Heavy Atoms 46
Rings
Aromatic Rings
Rotatable Bonds 19
Van der Waals Molecular Volume 756.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 13.55
Molar Refractivity 210.30

Admin

Created at
17th Nov 2021
Updated at
3rd Dec 2021