Structure Database (LMSD)

Common Name
1'-OH-4-Keto-gamma-carotene
Systematic Name
1'-Hydroxy-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
  • Carotenoid K
LM ID
LMPR01070172
Formula
C40H56O2
Exact Mass
Calculate m/z
568.42803
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
Rhodococcus rhodochrous (#1829)
Actinomycetes (#1760)
Influence of growth temperature on comositions of carotenoids and fatty acids from carotenoid glucoside ester and from cellular lipids in Rhodococcus rhodochrous RNMS1,
Biosci. Biotech. Biochem, 1993

String Representations

InChiKey (Click to copy)
OTHIIUCTNIRKIT-XWJYYVJYSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/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/h11-15,17-24,26-27,42H,16,25,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,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)/CCCC(C)(C)O

Other Databases

LIPIDBANK ID
VCA1090
PubChem CID
14730338
Carotenoid ID
CA00261

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 674.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.43
Molar Refractivity 185.87

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Created at
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Updated at
10th Oct 2022