4-(octyloxy)benzoic acid (CHEBI:170073)

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	4-(octyloxy)benzoic acid

ChEBI ID	CHEBI:170073

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)

InChIKey

IALWCYFULVHLEC-UHFFFAOYSA-N

SMILES

O(CCCCCCCC)C1=CC=C(C=C1)C(O)=O

Metabolite of Species	Details
Culture Media	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain [] 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	4-(octyloxy)benzoic acid (CHEBI:170073) is a benzoic acids (CHEBI:22723)

IUPAC Name

4-octoxybenzoic acid

Registry Number	Type	Source
2493-84-7	CAS Registry Number	ChemIDplus