Molecule

epithienamycin E

AlkaPlorer ID: AK021105

Synonym: 'BRL 13902', 'Antibiotic AB 110-D', 'epithienamycin e', 'Antibiotic MM 13902', 'MM13902', 'MM 13902', 'Epithienamycin E', 'MM 13,902', 'AB-110-D Antibiotic', 'AB 110 D Antibiotic'

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

Structure

SMILES: CC(O)=N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1

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

InChIKey: FQQFFZPBGYGDSX-NJFHWYBASA-N

Reference

Metabolic differences in ripening of Solanum lycopersicum ‘Ailsa Craig’ and three monogenic mutants

PubChem CID: 11953962

LOTUS: LTS0096229

SuperNatural Ⅲ: SN0092882-09

NPASS: NPC99376

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Solanum lycopersicum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces olivaceus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 392.4110000000001

TPSA？: 153.79999999999998

MolLogP？: 0.9020000000000002

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002293	CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1>>CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1	R10742
AKRT002484	CC(=O)NCCSC1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1>>CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1	R10741