EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32143 - equilin sodium sulfate

ChEBI IDCHEBI:32143
ChEBI Nameequilin sodium sulfate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H19O5S.Na
Net Charge0
Average Mass370.402
Monoisotopic Mass370.08509
SMILES[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(OS(=O)(=O)[O-])ccc12.[Na+]
InChIInChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
InChIKeyQTTMOCOWZLSYSV-QWAPEVOJSA-M
ChEBI Ontology
Outgoing Relation(s)
equilin sodium sulfate (CHEBI:32143) has functional parent equilin (CHEBI:42309)
equilin sodium sulfate (CHEBI:32143) is a steroid sulfate (CHEBI:16158)
Synonym  Source
Sodium equilin sulfateKEGG COMPOUND
Manual XrefsDatabases
C13416KEGG COMPOUND
Registry NumbersSources
CAS:16680-47-0KEGG COMPOUND