deacetoxycephalosporin C
CHEBI:18229
·resolve ·ANTIMICROBIAL_UNSPECIFIED
·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.
Chemical structure
Computed structure properties
| Molecular formula | C14H19N3O6S |
|---|
| Charge | 0 |
|---|
| Average mass | 357.388 Da |
|---|
| Monoisotopic mass | 357.09946 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | NNQIJOYQWYKBOW-JWKOBGCHSA-N |
|---|
SMILES
[H][C@]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(=O)O
InChI
InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
Also called
- (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (EXACT_SYNONYM)— chebi
- DAOC (EXACT_SYNONYM)— chebi
- De(acetyloxy)cephalosporin C (EXACT_SYNONYM)— chebi
- Deacetoxycephalosporin C (EXACT_SYNONYM)— chebi
- Desacetoxycephalosphorin C (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:18229 |
deacetoxycephalosporin C |
antibioticmech:chebi-4347eceae5 |
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.