Structure Database (LMSD)

Common Name
3-Hydroxy-4-keto-a-carotene
Systematic Name
3-Hydroxy-β,ε-caroten-4-one
Synonyms
LM ID
LMPR01070933
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

Comments
Imported from http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
NBZUTADSSFCRRV-GVVOHZSFSA-N
InChi (Click to copy)
InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-26,35,37,41H,15,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+
SMILES (Click to copy)
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(CC1(C)C)O)/C=C/C=C(\C)/C=C/C1C(=CCCC1(C)C)C

Other Databases

PubChem CID
87443045
Carotenoid ID
CA00657

Admin

Created at
17th Nov 2021
Updated at
-