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CHEBI:16671 - 4-guanidinobutanal

Default Structure
ChEBI IDCHEBI:16671
ChEBI Name4-guanidinobutanal
Stars
Secondary ChEBI IDsCHEBI:1832, CHEBI:11989, CHEBI:20370
Last Modified22 October 2010
DownloadsMolfile
FormulaC5H11N3O
Net Charge0
Average Mass129.163
Monoisotopic Mass129.09021
SMILES[H]C(=O)CCCNC(=N)N
InChIInChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)
InChIKeyVCOFTLCIPLEZKE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-guanidinobutanal (CHEBI:16671) is a butanals (CHEBI:22939)
4-guanidinobutanal (CHEBI:16671) is conjugate base of 4-guanidiniumylbutanal (CHEBI:57854)
Incoming Relation(s)
4-guanidiniumylbutanal (CHEBI:57854) is conjugate acid of 4-guanidinobutanal (CHEBI:16671)
IUPAC Name 
1-(4-oxobutyl)guanidine
Synonyms  Source
4-GuanidinobutanalKEGG COMPOUND
N-(4-oxobutyl)guanidineIUPAC
Manual XrefsDatabases
C02647KEGG COMPOUND
C02647KEGG COMPOUND
Registry NumbersSources
CAS:14049-14-0Beilstein