CHEBI:80416 - Thiothece-474

ChEBI IDCHEBI:80416
ChEBI NameThiothece-474
Stars
DownloadsMolfile
FormulaC41H58O2
Net Charge0
Average Mass582.913
Monoisotopic Mass582.44368
SMILESCOC(C)(C)CCC(=O)/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/C1=C(C)CCCC1(C)C
InChIInChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+
InChIKeyVOXGPKABGLVWPB-XBIRMVLJSA-N
ChEBI Ontology
Outgoing Relation(s)
Thiothece-474 (CHEBI:80416) is a xanthophyll (CHEBI:27325)
Manual XrefsDatabases
C00022996KNApSAcK
C16279KEGG COMPOUND