(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid
CHEBI:15838
·resolve ·ANTIMICROBIAL_UNSPECIFIED
·EXACT
SEEDED
A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position. — 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 | C16H18N2O9S |
|---|
| Charge | 0 |
|---|
| Average mass | 414.392 Da |
|---|
| Monoisotopic mass | 414.0733 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | UKRMDFPJXIVYCZ-BXUZGUMPSA-N |
|---|
SMILES
[H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCCC(=O)C(=O)O
InChI
InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1
Also called
- (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (EXACT_SYNONYM)— chebi
- (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (EXACT_SYNONYM)— chebi
- (7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid (EXACT_SYNONYM)— chebi
- 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate (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:15838 |
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid |
antibioticmech:chebi-a3e541dad5 |
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.