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CHEBI:184738 - 3,4-Dichloro-5-hydroxy-2H-pyrrol-2-one

ChEBI IDCHEBI:184738
ChEBI Name3,4-Dichloro-5-hydroxy-2H-pyrrol-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC4HCl2NO2
Net Charge0
Average Mass165.963
Monoisotopic Mass164.93843
SMILESO=C1NC(=O)C(Cl)=C1Cl
InChIInChI=1S/C4HCl2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)
InChIKeyKVBAKSQRUXXHCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
alkylating agent  Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
ChEBI Ontology
Outgoing Relation(s)
3,4-Dichloro-5-hydroxy-2H-pyrrol-2-one (CHEBI:184738) is a nitrogen mustard (CHEBI:37598)
IUPAC Name 
3,4-dichloropyrrole-2,5-dione
Manual XrefsDatabases
HMDB0031151HMDB
13857ChemSpider
Registry NumbersSources
CAS:1193-54-0ChemIDplus