Structure Database (LMSD)

Common Name
Deoxyflexixanthin
Systematic Name
1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
  • Keto-myxocoxanthin
LM ID
LMPR01070161
Formula
C40H54O2
Exact Mass
Calculate m/z
566.41238
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Flexibacter sp. (#1005)
Cytophagia (#768503)
Carotenoids of flexibacteria. 3. The structures of flexixanthin and deoxy-flexixanthin.,
Acta Chem Scand, 1966
Pubmed ID: 5973663

String Representations

InChiKey (Click to copy)
GCDPDLHIDNBTJP-BOBWQXBNSA-N
InChi (Click to copy)
InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-29-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-37-36(6)38(41)28-30-39(37,7)8/h11-27,42H,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+
SMILES (Click to copy)
C1(=C(C)C(=O)CCC1(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)O

Other Databases

LIPIDBANK ID
VCA1079
PubChem CID
6443734
Carotenoid ID
CA00270

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 671.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.21
Molar Refractivity 185.77

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Created at
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Updated at
27th Oct 2023