Cl-Amidine (CHEBI:190024)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cl-Amidine

ChEBI ID	CHEBI:190024

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H19ClN4O2

Net Charge

Average Mass

310.780

Monoisotopic Mass

310.11965

InChI

InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1

InChIKey

BPWATVWOHQZVRP-NSHDSACASA-N

SMILES

ClC/C(=N\CCC[C@H](NC(=O)C1=CC=CC=C1)C(=O)N)/N

Metabolite of Species	Details
Brassica napus (NCBI:txid3708)	Found in flower (BTO:0000469). See: MetaboLights Study

ChEBI Ontology
Outgoing	Cl-Amidine (CHEBI:190024) is a benzenes (CHEBI:22712)

IUPAC Name

N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide