Structure Database (LMSD)

Common Name
1'-Hydroxy-4-keto-gamma-carotene glucoside
Systematic Name
Synonyms
  • 1'-OH-4-Keto-gamma-carotene glucoside
  • carotenoid K-G
LM ID
LMPR01070173
Formula
C46H66O7
Exact Mass
Calculate m/z
730.480855
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)
Carotenoid glycoside ester from Rhodococcus rhodochrous,
Methods Enzymology, 1992

String Representations

InChiKey (Click to copy)
PLZRVZWMWJQZSE-VPWKDHIOSA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-38-37(6)39(48)28-30-45(38,7)8)19-13-21-34(3)22-14-23-35(4)25-16-29-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-15,17-24,26-27,40-44,47,49-51H,16,25,28-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t40-,41-,42+,43-,44+/m1/s1
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(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)C

Other Databases

LIPIDBANK ID
VCA1091
PubChem CID
70698923
Carotenoid ID
CA00269

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 2
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 809.49
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 10.97
Molar Refractivity 221.55

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Created at
-
Updated at
2nd Oct 2021