Structure Database (LMSD)

Common Name
a-Carotene epoxide
Systematic Name
5,6-Epoxy-5,6-dihydro-β,ε-carotene
Synonyms
LM ID
LMPR01070920
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
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)
WZKNIMMWWQHMCG-WWSVUWEKSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-26,30,36H,15-16,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12C(C)(C)CCCC1(C)O2)/C=C/C=C(\C)/C=C/C1C(=CCCC1(C)C)C

Other Databases

PubChem CID
14192315
Carotenoid ID
CA00628

Admin

Created at
17th Nov 2021
Updated at
-