LIPID MAPS

Structure Database (LMSD)

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Common Name

Decaprenoxanthin

Systematic Name

(2R,6R,2'R,6'R)-2,2-bis(4-hydroxy-3-methyl- 2-butenyl)-ε,ε-carotene

Synonyms

LM ID

LMPR01080070

Formula

C₅₀H₇₂O₂

Exact Mass

Calculate m/z

704.55323

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

FMUTWECJHLYSSS-XUYZKQIISA-N

InChi (Click to copy)

InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-28,33-34,45-48,51-52H,29-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1

SMILES (Click to copy)

C(/CO)(\C)=C\C[C@H]1CC=C(C)[C@@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC[C@H](C/C=C(\C)/CO)C2(C)C)C1(C)C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Curtobacterium flaccumfaciens (#2035)

Actinomycetia (#1760)

Bacterial carotenoids. XLVII. C50-carotenoids. 15. Absolute configuration of decaprenoxanthin.,
Acta Chem Scand B, 1975

Pubmed ID: 1202891

Other Databases

CHEBI ID

191295

PubChem CID

6443309

Calculated Physicochemical Properties

Heavy Atoms 52

Rings 2

Aromatic Rings

Rotatable Bonds 16

Van der Waals Molecular Volume 832.10

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 14.00

Molar Refractivity 230.90

Admin

Created at

21st Mar 2024

Updated at