3-phenylbutyric acid
CHEBI:166657
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C10H12O2 |
|---|
| Charge | 0 |
|---|
| Average mass | 164.204 Da |
|---|
| Monoisotopic mass | 164.08373 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
|---|
SMILES
CC(CC(=O)O)c1ccccc1
InChI
InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
Also called
- 3-phenylbutanoic acid (EXACT_SYNONYM)— chebi
- β-methylbenzenepropanoic acid (EXACT_SYNONYM)— chebi
- β-methylhydrocinnamic acid (EXACT_SYNONYM)— chebi
- β-phenylbutyric acid (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:4593-90-2
- chemspider:19513
- foodb.food:FDB022762
- hmdb:HMDB0001955
- reaxys:2044322
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:166657 |
3-phenylbutyric acid |
antibioticmech:chebi-951971716d |
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.