alliin zwitterion

CHEBI:132987 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An L-α-amino acid zwitterion that is allin in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. — 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.

Label unavailable CHEBI:59869

Chemical structure

Computed structure properties
Molecular formula	C6H11NO3S
Charge	0
Average mass	177.225 Da
Monoisotopic mass	177.04596 Da
Source	ChEBI
InChIKey	XUHLIQGRKRUKPH-DYEAUMGKSA-N

SMILES

C=CC[S@](=O)C[C@H]([NH3+])C(=O)[O-]

InChI

InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1

Also called

(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate (EXACT_SYNONYM)— chebi
alliin (RELATED_SYNONYM)— chebi

Activity roles

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

antimicrobial agent CHEBI:33281

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:132987`	alliin zwitterion	`antibioticmech:chebi-96834ae494`	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 (YAML).

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