Structure Database (LMSD)

Common Name
1,1'-(OH)2-2-keto-3,4,3',4'-tetradehydrolycopene
Systematic Name
1,1'-Dihydroxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-2-one
Synonyms
LM ID
LMPR01070216
Formula
C40H54O3
Exact Mass
Calculate m/z
582.407295
Status
Active
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
Rubrivivax gelatinosus (#28068)
Betaproteobacteria (#28216)
Characterization of unusual hydroxy- and ketocarotenoids in Rubrivivax gelatinosus: involvement of enzyme CrtF or CrtA.,
Arch Microbiol, 2003
Pubmed ID: 12664193

String Representations

InChiKey (Click to copy)
FCVLQCIPPMSBEB-XRAPVDLYSA-N
InChi (Click to copy)
InChI=1S/C40H54O3/c1-32(20-13-22-34(3)24-15-26-36(5)28-17-31-39(7,8)42)18-11-12-19-33(2)21-14-23-35(4)25-16-27-37(6)29-30-38(41)40(9,10)43/h11-30,42-43H,31H2,1-10H3/b12-11+,20-13+,21-14+,24-15+,25-16+,28-17+,30-29+,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+
SMILES (Click to copy)
CC(C)(O)C(=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/C=C(\C)/C=C/CC(C)(O)C

Other Databases

CHEBI ID
191287
LIPIDBANK ID
VCA1134
PubChem CID
16061310

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 689.97
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 10.63
Molar Refractivity 189.77

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Created at
-
Updated at
22nd Mar 2024