EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131192 - 2-isothiocyanatoethyl phosphate

ChEBI IDCHEBI:131192
ChEBI Name2-isothiocyanatoethyl phosphate
Stars
DefinitionA monoalkyl phosphate that is ethyl phosphate in which one of the methyl hydrogens has been replaced by an isothiocyanato group.
Last Modified27 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC3H6NO4PS
Net Charge0
Average Mass183.125
Monoisotopic Mass182.97552
SMILESO=P(O)(O)OCCN=C=S
InChIInChI=1S/C3H6NO4PS/c5-9(6,7)8-2-1-4-3-10/h1-2H2,(H2,5,6,7)
InChIKeyJLPKNCULJRQTGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
ChEBI Ontology
Outgoing Relation(s)
2-isothiocyanatoethyl phosphate (CHEBI:131192) has functional parent ethyl dihydrogen phosphate (CHEBI:42383)
2-isothiocyanatoethyl phosphate (CHEBI:131192) is a isothiocyanate (CHEBI:52221)
2-isothiocyanatoethyl phosphate (CHEBI:131192) is a monoalkyl phosphate (CHEBI:25381)
IUPAC Name 
2-isothiocyanatoethyl dihydrogen phosphate