2-(Acetylamino)hexanoic acid (CHEBI:170072)

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	2-(Acetylamino)hexanoic acid

ChEBI ID	CHEBI:170072

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H15NO3

Net Charge

Average Mass

173.212

Monoisotopic Mass

173.10519

InChI

InChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)

InChIKey

JDMCEGLQFSOMQH-UHFFFAOYSA-N

SMILES

OC(=O)C(NC(=O)C)CCCC

Metabolite of Species	Details
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
unidentified (NCBI:txid32644)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-(Acetylamino)hexanoic acid (CHEBI:170072) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

2-acetamidohexanoic acid

Registry Number	Type	Source
7682-16-8	CAS Registry Number	ChemIDplus