Structure Database (LMSD)

Common Name
3'-Keto-a-carotene
Systematic Name
β,ε-Caroten-3'-one
Synonyms
LM ID
LMPR01070930
Formula
C40H54O
Exact Mass
Calculate m/z
550.417465
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)
OPCRQIFNFWMPKA-BJULOJNZSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,38H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t38-/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/C1=C(C)CCCC1(C)C

Other Databases

PubChem CID
102365236
Carotenoid ID
CA00654

Admin

Created at
17th Nov 2021
Updated at
-