Chemical substance record

Anticapsin

28978-07-6C₉H₁₃NO₄199.206 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	28978-07-6	ChEBI ↗
Molecular formula	C₉H₁₃NO₄	ChEBI ↗
Molar mass	199.206 g/mol	ChEBI ↗
Monoisotopic mass	199.08446 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:85005	ChEBI ↗

Names & structural identifiers

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Source preferred name

anticapsin

IUPAC name

3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

InChIKey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

SMILES

N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O

InChI

InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1

Names & synonyms

3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

epoxideChEBI parent class · 32955 ↗alicyclic ketoneChEBI parent class · 36132 ↗non-proteinogenic L-alpha-amino acidChEBI parent class · 83822 ↗L-alanine derivativeChEBI parent class · 83943 ↗

carboxylic acid amino acid ether ketone organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antimicrobial agentantimetabolitebacterial metaboliteEC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00501993 mol

Uses 199.206 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 9 atoms

54.26%

O

Oxygen · 4 atoms

32.13%

N

Nitrogen · 1 atom

7.03%

H

Hydrogen · 13 atoms

6.58%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Production of Anticapsin by Streptomyces griseoplanus. ↗Applied microbiology · 1971 Oct · PMID 16349914

Pleiotropic effect of anticapsin on HeLa S3 cells. ↗Acta biochimica Polonica · 1987 · PMID 3450099

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:85005

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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