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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

Default Structure
ChEBI IDCHEBI:69292
ChEBI Namesodium(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
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC25H38NO5S.Na
Net Charge0
Average Mass487.638
Monoisotopic Mass487.23684
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CCC3=CCNC3=O)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=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
InChIKeyXBSDUYJOZILBSE-NAVIIXIYSA-M
Species of MetaboliteComponentSourceComments
Coscinoderma (ncbitaxon:1162776) - PubMed (21827183) Methanol and methylene dichloride extract of lyophilized and macerated sponge
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Citations