(7R)-7-(4-carboxybutanamido)cephalosporanic acid

CHEBI:41425 ·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.

CHEBI:23066 CHEBI:23066

Chemical structure

Computed structure properties
Molecular formula	C15H18N2O8S
Charge	0
Average mass	386.382 Da
Monoisotopic mass	386.07839 Da
Source	ChEBI
InChIKey	IXUSDMGLUJZNFO-BXUZGUMPSA-N

SMILES

[H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCCC(=O)O

InChI

InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1

Also called

(6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxybutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (EXACT_SYNONYM)— chebi
(7R)-7-(4-Carboxybutanamido)cephalosporanate (EXACT_SYNONYM)— chebi
7-Glutarylaminocephalosporanate (EXACT_SYNONYM)— chebi
7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID (EXACT_SYNONYM)— chebi
Gl-7-Aca (EXACT_SYNONYM)— chebi
Glutaryl-7-aca (EXACT_SYNONYM)— chebi
Glutaryl-7-aminocephalosporanic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:1183847
cas:27920-90-7
kegg.compound:C15666
pdb-ccd:CEN

Activity roles

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

CHEBI:33281 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:41425`	(7R)-7-(4-carboxybutanamido)cephalosporanic acid	`antibioticmech:chebi-fe620cfd4f`	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.