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.

Label unavailable CHEBI:22160
Label unavailable CHEBI:33551
carbapenems 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

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.

Activity roles

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

antimicrobial agent CHEBI:33281
antibacterial agent 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 (YAML).

Explore across X-Mech: MediaIngredientMech (epithienamycin E) · CultureMech · NaturalProductMech · PathwayMech · TraitMech