3-phenylpropionic acid

CHEBI:28631 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. — 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:22712 CHEBI:22712
CHEBI:25384 CHEBI:25384

Chemical structure

Computed structure properties
Molecular formula	C9H10O2
Charge	0
Average mass	150.177 Da
Monoisotopic mass	150.06808 Da
Source	ChEBI
InChIKey	XMIIGOLPHOKFCH-UHFFFAOYSA-N

SMILES

O=C(O)CCc1ccccc1

InChI

InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

Also called

3-phenylpropanoic acid (EXACT_SYNONYM)— chebi
3-Phenyl-propionic acid (EXACT_SYNONYM)— chebi
3-Phenylpropanoic acid (EXACT_SYNONYM)— chebi
3-Phenylpropionsäure (EXACT_SYNONYM)— chebi
3PP (EXACT_SYNONYM)— chebi
HYDROCINNAMIC ACID (EXACT_SYNONYM)— chebi
Hydrozimtsäure (EXACT_SYNONYM)— chebi
Phenylpropanoate (EXACT_SYNONYM)— chebi
benzenepropanoic acid (EXACT_SYNONYM)— chebi
benzenepropionic acid (EXACT_SYNONYM)— chebi
benzylacetic acid (EXACT_SYNONYM)— chebi
dihydrocinnamic acid (EXACT_SYNONYM)— chebi
β-phenylpropionic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:501-52-0
drugbank:DB02024
ecmdb:ECMDB00764
gmelin:102198
hmdb:HMDB0000764
kegg.compound:C05629
metacyc.compound:3-PHENYLPROPIONATE
pdb-ccd:HCI
reaxys:907515
wikipedia.en:Phenylpropanoic_acid

Activity roles

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

CHEBI:35718 CHEBI:35718

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:28631`	3-phenylpropionic acid	`antibioticmech:chebi-cb4020e680`	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.