AntibioticMech

octanoic acid

CHEBI:28837 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:39418 CHEBI:39418
• CHEBI:59554 CHEBI:59554

Chemical structure

Computed structure properties

Molecular formula	C8H16O2
Charge	0
Average mass	144.214 Da
Monoisotopic mass	144.11503 Da
Source	ChEBI
InChIKey	WWZKQHOCKIZLMA-UHFFFAOYSA-N

SMILES

CCCCCCCC(=O)O

InChI

InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

Also called

• acide octanoïque (INN)— chebi
• acidum octanoicum (INN)— chebi
• ácido octanoico (INN)— chebi
• 1-heptanecarboxylic acid (EXACT_SYNONYM)— chebi
• 8:0 (EXACT_SYNONYM)— chebi
• Acide octanoique (EXACT_SYNONYM)— chebi
• Acido octanoico (EXACT_SYNONYM)— chebi
• Acidum octanocium (EXACT_SYNONYM)— chebi
• C8:0 (EXACT_SYNONYM)— chebi
• CH3‒[CH2]6‒COOH (EXACT_SYNONYM)— chebi
• Caprylic acid (EXACT_SYNONYM)— chebi
• Kaprylsäure (EXACT_SYNONYM)— chebi
• OCTANOIC ACID (CAPRYLIC ACID) (EXACT_SYNONYM)— chebi
• Octanoic acid (EXACT_SYNONYM)— chebi
• Octansäure (EXACT_SYNONYM)— chebi
• Octylic acid (EXACT_SYNONYM)— chebi
• n-caprylic acid (EXACT_SYNONYM)— chebi
• n-octanoic acid (EXACT_SYNONYM)— chebi
• n-octoic acid (EXACT_SYNONYM)— chebi
• n-octylic acid (EXACT_SYNONYM)— chebi
• octoic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:124-07-2
• drugbank:DB04519
• drugcentral:3998
• gmelin:142966
• hmdb:HMDB0000482
• kegg.compound:C06423
• kegg.drug:D05220
• knapsack:C00001231
• lipidmaps:LMFA01010008
• metacyc.compound:CPD-195
• pdb-ccd:OCA
• reaxys:1747180
• wikipedia.en:Caprylic_acid

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:28837	octanoic acid	antibioticmech:chebi-823e3c5bea	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.