Chem
J-GLOBAL ID：200907042770373918   Nikkaji number：J23.015D

MM-13902

エピチエナマイシンE
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H16N2O8S2
Molecular formula furigana： C13-H16-N2-O8-S2
Molecular weight： 392.400
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
InChI key： FQQFFZPBGYGDSX-NJFHWYBASA-N
SMILES： C[C@H](OS(=O)(=O)O)[C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C
Systematic name  (4)：
  • (5R,5β)-3-[[(E)-2-(アセチルアミノ)エテニル]チオ]-6α-[(S)-1-スルホオキシエチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (5R)-3-[[(E)-2-(アセチルアミノ)エテニル]チオ]-6α-[(S)-1-(スルホオキシ)エチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (5R,6R)-3-{[(1E)-2-アセトアミドエテニル]スルファニル}-7-オキソ-6-[(1S)-1-(スルホオキシ)エチル]-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (5R,6R)-3-{[(1E)-2-acetamidoethenyl]sulfanyl}-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (5)：
  • MM-13902
  • (5R,5β)-3-[[(E)-2-(Acetylamino)ethenyl]thio]-6α-[(S)-1-sulfooxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R)-3-[[(E)-2-(Acetylamino)ethenyl]thio]-6α-[(S)-1-(sulfooxy)ethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid
  • Epithienamycin E
  • エピチエナマイシンE
CAS registry number： 79057-46-8
KEGG COMPOUND： C11755
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