ChEBI

CHEBI:69292 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

ChEBI Name sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ChEBI ID CHEBI:69292 Definition A natural product found in Coscinoderma species. Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H38NNaO5S Net Charge 0 Average Mass 487.62800 Monoisotopic Mass 487.23684 InChI InChI=1S/C25H39NO5S.Na/c1-23(2)12-5-13-25(4)20(23)10-14-24(3)19(8-6-17-11-15-26-22(17)27)18(7-9-21(24)25)16-31-32(28,29)30;/h11,16,19-21H,5-10,12-15H2,1-4H3,(H,26,27)(H,28,29,30);/q;+1/p-1/b18-16+;/t19-,20-,21-,24+,25-;/m0./s1 InChIKey XBSDUYJOZILBSE-NAVIIXIYSA-M SMILES [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CCNC4=O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O Metabolite of Species Details Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated sponge See: PubMed Roles Classification Biological Role(s): metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ) View more via ChEBI Ontology ChEBI Ontology Outgoing sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69292) has role metabolite (CHEBI:25212) sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69292) is a organic molecular entity (CHEBI:50860) Citation Type Source 21827183 PubMed citation Europe PMC