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CHEBI:31251 - bamethan sulfate

ChEBI IDCHEBI:31251
ChEBI Namebamethan sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C12H20NO2.O4S
Net Charge0
Average Mass516.657
Monoisotopic Mass516.25054
SMILESCCCC[NH2+]CC(O)c1ccc(O)cc1.CCCC[NH2+]CC(O)c1ccc(O)cc1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)
InChIKeyPARMADWNFXEEFC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bamethan sulfate (CHEBI:31251) has functional parent bamethan (CHEBI:37936)
bamethan sulfate (CHEBI:31251) is a ethanolamine sulfate salt (CHEBI:38016)
Synonym  Source
Bamethan sulfateKEGG COMPOUND
Manual XrefsDatabases
D01673KEGG DRUG
Registry NumbersSources
CAS:5716-20-1KEGG COMPOUND