3-(phenethylamino)-butan-2-one

CHEBI:143030 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A methyl ketone that is 2-phenylethan-1-amine in which one of the hydrogen's of the amino group is substituted by a 3-oxobutan-2-yl group. It is a volatile organic compound produced by the skin bacterium, S.schleiferi. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:134179 CHEBI:134179
CHEBI:22712 CHEBI:22712
CHEBI:50995 CHEBI:50995
CHEBI:51867 CHEBI:51867

Chemical structure

Computed structure properties
Molecular formula	C12H17NO
Charge	0
Average mass	191.274 Da
Monoisotopic mass	191.13101 Da
Source	ChEBI
InChIKey	WGOUDWYOCIOVMG-UHFFFAOYSA-N

SMILES

CC(=O)C(C)NCCc1ccccc1

InChI

InChI=1S/C12H17NO/c1-10(11(2)14)13-9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3

Also called

3-[(2-phenylethyl)amino]butan-2-one (EXACT_SYNONYM)— chebi
schleiferon A (EXACT_SYNONYM)— chebi

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:143030`	3-(phenethylamino)-butan-2-one	`antibioticmech:chebi-8a03842ee6`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.