epithienamycin E

CHEBI:91030 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of carbapenems that is (5R,6R)-3-{[(E)-2-aminoethenyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in which the free hydroxy and amino groups are carrying sulfo and acetyl substituents respectively. — 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.

CHEBI:22160 CHEBI:22160
CHEBI:33551 CHEBI:33551
CHEBI:46633 CHEBI:46633

Chemical structure

Computed structure properties
Molecular formula	C13H16N2O8S2
Charge	0
Average mass	392.411 Da
Monoisotopic mass	392.03481 Da
Source	ChEBI
InChIKey	FQQFFZPBGYGDSX-NJFHWYBASA-N

SMILES

[H][C@@]1([C@H](C)OS(=O)(=O)O)C(=O)N2C(C(=O)O)=C(S/C=C/NC(C)=O)C[C@@]21[H]

InChI

InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/b4-3+/t6-,8+,10-/m0/s1

Also called

(5R,6R)-3-{[(E)-2-acetamidoethenyl]sulfanyl}-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (EXACT_SYNONYM)— chebi
AB 110 D Antibiotic (EXACT_SYNONYM)— chebi
AB-110-D Antibiotic (EXACT_SYNONYM)— chebi
Antibiotic AB 110-D (EXACT_SYNONYM)— chebi
Antibiotic MM 13902 (EXACT_SYNONYM)— chebi
BRL 13902 (EXACT_SYNONYM)— chebi
MM 13,902 (EXACT_SYNONYM)— chebi
MM 13902 (EXACT_SYNONYM)— chebi
MM13902 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:79057-46-8
kegg.compound:C11755
knapsack:C00018092
reaxys:6450866

Activity roles

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

CHEBI:33281 CHEBI:33281
CHEBI:33282 CHEBI:33282

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:91030`	epithienamycin E	`antibioticmech:chebi-9a4bac1a51`	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.