carboxy-PTIO
CHEBI:90702
·resolve ·BIOCIDE
·EXACT
SEEDED
A member of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3λ5-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl 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.
Chemical structure
Computed structure properties
| Molecular formula | C14H17N2O4 |
|---|
| Charge | 0 |
|---|
| Average mass | 277.3 Da |
|---|
| Monoisotopic mass | 277.11883 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | KWNDLWPKCDMGTN-UHFFFAOYSA-N |
|---|
SMILES
CC1(C)N([O])C(c2ccc(C(=O)O)cc2)=[N+]([O-])C1(C)C
InChI
InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)
Also called
- [2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3λ5-imidazol-1-yl]oxidanyl (EXACT_SYNONYM)— chebi
- 1,3-Dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole (EXACT_SYNONYM)— chebi
- 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:90702 |
carboxy-PTIO |
antibioticmech:chebi-f96b3a05c8 |
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.