Structure Database (LMSD)

Common Name
Arthroxanthin
Systematic Name
2,2'-Bis-(2-ethylidene-propane-1,3-diol)-β,β-carotene
Synonyms
LM ID
LMPR01080071
Formula
Exact Mass
Calculate m/z
736.54306
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FJPNJAKSKVIFBL-MOOVSBSOSA-N
InChi (Click to copy)
InChI=1S/C50H72O4/c1-37(17-13-19-39(3)21-31-47-41(5)23-27-45(49(47,7)8)29-25-43(33-51)34-52)15-11-12-16-38(2)18-14-20-40(4)22-32-48-42(6)24-28-46(50(48,9)10)30-26-44(35-53)36-54/h11-22,25-26,31-32,45-46,51-54H,23-24,27-30,33-36H2,1-10H3/b12-11+,17-13+,18-14+,31-21+,32-22+,37-15+,38-16+,39-19+,40-20+
SMILES (Click to copy)
C1(C/C=C(\CO)/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/C2=C(C)CCC(C/C=C(\CO)/CO)C2(C)C)=C(C)CC1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arthrobacter antioxidans (#2895818)
Actinobacteria (#1760)
Purification, Identification, and Properties of a Novel Carotenoid Produced by Arthrobacter sp. QL17 Isolated from Mount Qomolangma.,
Antioxidants (Basel), 2022
Pubmed ID: 36009212

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 2
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 849.68
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 12.80
Molar Refractivity 234.84

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Created at
1st Oct 2024
Updated at
1st Oct 2024