CHEBI:82392 - Arsenobetaine

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ChEBI Name Arsenobetaine
ChEBI ID CHEBI:82392
Stars This entity has been manually annotated by a third party.
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Formula C5H11AsO2
Net Charge 0
Average Mass 178.06120
Monoisotopic Mass 177.998
InChI InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey SPTHHTGLGVZZRH-UHFFFAOYSA-N
SMILES C[As+](C)(C)CC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: National Health and Nutrition Examination Survey (NHANES Survey) 2013
ChEBI Ontology
Outgoing Arsenobetaine (CHEBI:82392) is a organic salt (CHEBI:24868)
IUPAC Name
2-(trimethylarsaniumyl)acetate
Synonyms Sources
(carboxymethyl)trimethylarsonium hydroxide inner salt HMDB
(Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CI HMDB
2-(Trimethylarsonio)acetate HMDB
Arsenobetaine monohydrate HMDB
Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt HMDB
Manual Xrefs Databases
Arsenobetaine Wikipedia
C00033652 KNApSAcK
C19331 KEGG COMPOUND
HMDB0033206 HMDB
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Registry Number Type Source
64436-13-1 CAS Registry Number KEGG COMPOUND
Last Modified
23 October 2015