7β-aminodeacetoxycephalosporanic acid

CHEBI:64984 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7β-amino 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.

cephalosporin CHEBI:23066
Label unavailable CHEBI:25384

Chemical structure

Computed structure properties
Molecular formula	C8H10N2O3S
Charge	0
Average mass	214.246 Da
Monoisotopic mass	214.04121 Da
Source	ChEBI
InChIKey	NVIAYEIXYQCDAN-CLZZGJSISA-N

SMILES

[H][C@]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2N

InChI

InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1

Also called

(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (EXACT_SYNONYM)— chebi
3-methyl-7-amino-Δ3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
3-methyl-7-aminoceph-3-em-4-carboxylic acid (EXACT_SYNONYM)— chebi
3-methyl-7β-amino-Δ3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
3-methyl-7β-aminoceph-3-em-4-carboxylic acid (EXACT_SYNONYM)— chebi
7-ADCA (EXACT_SYNONYM)— chebi
7-Aminodesacetoxycephalosporanic acid (EXACT_SYNONYM)— chebi
7-amino-3-methyl-3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
7-amino-3-methyl-Δ3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
7-amino-3-methylceph-3-em-4-carboxylic acid (EXACT_SYNONYM)— chebi
7-aminodeacetoxycephalosporanic acid (EXACT_SYNONYM)— chebi
7β-amino-3-methyl-3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
7β-amino-3-methyl-Δ3-cephem-4-carboxylic acid (EXACT_SYNONYM)— chebi
7β-amino-3-methylceph-3-em-4-carboxylic acid (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:22252-43-3
reaxys:1078249

Activity roles

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

antimicrobial agent 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:64984`	7β-aminodeacetoxycephalosporanic acid	`antibioticmech:chebi-966174d2a0`	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 (YAML).

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