CHEBI:82116 - Demeton-O

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Demeton-O
ChEBI ID CHEBI:82116
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C8H19O3PS2
Net Charge 0
Average Mass 258.33800
Monoisotopic Mass 258.051
InChI InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
InChIKey DGLIBALSRMUQDD-UHFFFAOYSA-N
SMILES CCOP(=S)(OCC)OCCSCC
ChEBI Ontology
Outgoing Demeton-O (CHEBI:82116) is a organic thiophosphate (CHEBI:37512)
Manual Xrefs Databases
1537 PPDB
C18977 KEGG COMPOUND
View more database links
Registry Number Type Source
298-03-3 CAS Registry Number KEGG COMPOUND