CHEBI:16270 - benzoylagmatine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzoylagmatine
ChEBI ID CHEBI:16270
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3039, CHEBI:13884, CHEBI:22737
Supplier Information
Download Molfile XML SDF
Formula C12H18N4O
Net Charge 0
Average Mass 234.29768
Monoisotopic Mass 234.14806
InChI InChI=1S/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)
InChIKey ZRBMNUPECIGKKJ-UHFFFAOYSA-N
SMILES NC(=N)NCCCCNC(=O)c1ccccc1
ChEBI Ontology
Outgoing benzoylagmatine (CHEBI:16270) is a guanidines (CHEBI:24436)
benzoylagmatine (CHEBI:16270) is conjugate base of benzoylagmatinium (CHEBI:57708)
Incoming benzoylagmatinium (CHEBI:57708) is conjugate acid of benzoylagmatine (CHEBI:16270)
IUPAC Name
N-[4-(carbamimidamido)butyl]benzamide
Synonyms Sources
Benzoylagmatine KEGG COMPOUND
N-(4-guanidinobutyl)benzamide ChEBI
Manual Xref Database
C02253 KEGG COMPOUND
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Last Modified
31 January 2019