allicin

CHEBI:28411 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

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:22063 CHEBI:22063
CHEBI:86494 CHEBI:86494

Chemical structure

Computed structure properties
Molecular formula	C6H10OS2
Charge	0
Average mass	162.279 Da
Monoisotopic mass	162.01731 Da
Source	ChEBI
InChIKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N

SMILES

C=CCSS(=O)CC=C

InChI

InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2

Also called

S-allyl prop-2-ene-1-sulfinothioate (EXACT_SYNONYM)— chebi
2-Propene-1-sulfinothioic acid S-2-propenyl ester (EXACT_SYNONYM)— chebi
Allicin (EXACT_SYNONYM)— chebi
thio-2-propene-1-sulfinic acid S-allyl ester (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:1752823
cas:539-86-6
kegg.compound:C07600
knapsack:C00001242

Activity roles

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

CHEBI:33282 CHEBI:33282
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:28411`	allicin	`antibioticmech:chebi-278ab7efc8`	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.