Structure Database (LMSD)

Common Name
3'-Hydroxy-3-keto-e-carotene
Systematic Name
(6S,3'R,6'S)-3'-Hydroxy-ε,ε-caroten-3-one
Synonyms
LM ID
LMPR01070977
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]

Biological Context

References

Comments
Imported from http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
OTHWKRBAHPOBSP-CKJADKKOSA-N
InChi (Click to copy)
InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37+,38+/m0/s1
SMILES (Click to copy)
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]1C(=CC(=O)CC1(C)C)C)/C=C/C=C(\C)/C=C/[C@@H]1C(=C[C@@H](CC1(C)C)O)C

Other Databases

PubChem CID
163057422
Carotenoid ID
CA00695

Admin

Created at
17th Nov 2021
Updated at
-