CHEBI:177854 - Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate

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ChEBI Name Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate
ChEBI ID CHEBI:177854
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O4
Net Charge 0
Average Mass 409.486
Monoisotopic Mass 409.20016
InChI InChI=1S/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)
InChIKey IAXUQWSLRKIRFR-UHFFFAOYSA-N
SMILES O(C(=O)C1CCC(CC1)CN=C(N)N)C=2C(=CC=CC2)C(OCC3=CC=CC=C3)=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate (CHEBI:177854) is a salicylates (CHEBI:26596)
IUPAC Name
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate
Manual Xrefs Databases
2226 ChemSpider
D07506 KEGG DRUG
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