Chem
J-GLOBAL ID：200907049103478293   Nikkaji number：J20.599K

Asparenomycin A

アスパレノマイシンA
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： C14H16N2O6S
Molecular formula furigana： C14-H16-N2-O6-S
Molecular weight： 340.350
InChI： InChI=1S/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23?/m1/s1
InChI key： KJQZKTFSANMFQJ-RPGQRGOQSA-N
SMILES： CC(=O)N/C=C/S(=O)C1=C(N2[C@H](C1)/C(=C(/C)\CO)/C2=O)C(=O)O
Systematic name  (3)：
  • (5R)-3-[[(E)-2-(アセチルアミノ)エテニル]スルフィニル]-6-[(E)-2-ヒドロキシ-1-メチルエチリデン]-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,6E)-3-[(1E)-2-アセトアミドエテンスルフィニル]-6-(1-ヒドロキシプロパン-2-イリデン)-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,6E)-3-[(1E)-2-acetamidoethenesulfinyl]-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (3)：
  • アスパレノマイシンA
  • Asparenomycin A
  • (5R)-3-[[(E)-2-(Acetylamino)ethenyl]sulfinyl]-6-[(E)-2-hydroxy-1-methylethylidene]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS registry number： 76466-24-5
KEGG COMPOUND： C17400
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