3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid (CHEBI:183433)

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	3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid

ChEBI ID	CHEBI:183433

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H19N3O3

Net Charge

Average Mass

301.346

Monoisotopic Mass

301.14264

InChI

InChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20)

InChIKey

ZWXLRFGRQXAUOF-UHFFFAOYSA-N

SMILES

O=C(NC1=NNC(=C1)C2=CC=CC=C2)CC(CC(O)=O)(C)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid (CHEBI:183433) is a pyrazoles (CHEBI:26410) 3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid (CHEBI:183433) is a ring assembly (CHEBI:36820)

IUPAC Name

3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid