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Heterocyclic compounds

Epithienamycin E

Also known as AB-110-D Antibiotic, Antibiotic AB 110-D, (5R,6R)-3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxo-6-[(1S)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CAS 79057-46-8Formula C13H16N2O8S2Molar mass 392.41 g/mol
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Epithienamycin E chemical structure, C13H16N2O8S2, CAS 79057-46-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79057-46-8
Formula
C13H16N2O8S2
Molar mass
392.41 g/mol
HS code
293379
Category
Heterocyclic compounds

What is Epithienamycin E?

Plain description, key identifiers and synonyms

Epithienamycin E is 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. It has a role as a bacterial metabolite. It is a member of acetamides, an organosulfonic acid and a member of carbapenems.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,6R)-3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxo-6-[(1S)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS number
79057-46-8
Molecular formula
C13H16N2O8S2
InChIKey
FQQFFZPBGYGDSX-NJFHWYBASA-N
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
Canonical SMILES
CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)C(C(C)OS(=O)(=O)O)C2C1
Isomeric SMILES
C[C@@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C)OS(=O)(=O)O

Synonyms

  • AB-110-D Antibiotic
  • Antibiotic AB 110-D
  • (5R,6R)-3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxo-6-[(1S)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6R)-3-((E)-2-acetamidoethenyl)sulfanyl-7-oxo-6-((1S)-1-sulfooxyethyl)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • (5R,6R)-3-((E)-2-acetamidovinyl)sulfanyl-7-oxo-6-((1S)-1-sulfooxyethyl)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • (5R,6R)-3-[(E)-2-acetamidovinyl]sulfanyl-7-oxo-6-[(1S)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (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
  • Antibiotic MM 13902
  • BRL 13902
  • MM 13,902

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
392.41 g/molcalc.
Exact mass
392.0348 Dacalc.
LogP (octanol/water)
0.06calc.
Topological polar surface area
150.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CC2CC=CN12

O=C1CC2CC=CN12

2 rings, 8 atoms, the 1-Azabicyclo[3.2.0]hept-2-en-7-one ring system.

63 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Epithienamycin E suppliers

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Epithienamycin E price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • bacterial metabolite
  • metabolite
  • prokaryotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Epithienamycin E is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Epithienamycin E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Epithienamycin E, based on the data on this page

What is Epithienamycin E?

Epithienamycin E is 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.

What is the CAS number of Epithienamycin E?

The CAS registry number of Epithienamycin E is 79057-46-8.

What is the molecular formula and weight of Epithienamycin E?

The molecular formula of Epithienamycin E is C13H16N2O8S2 and its molar mass is 392.41 g/mol.

What is Epithienamycin E used for?

Known uses and roles of Epithienamycin E include bacterial metabolite, metabolite and prokaryotic metabolite.

Is Epithienamycin E hazardous?

No GHS hazard classification for Epithienamycin E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Epithienamycin E?

Epithienamycin E is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Epithienamycin E?

Post a free request on CompoundList and suppliers of Epithienamycin E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Epithienamycin E?

Suppliers quote Epithienamycin E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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