Chem
J-GLOBAL ID:200907050785946755   Nikkaji number:J1.458.953H

N-Acetyl-4-O-(2-imino-2-aminoethyl)-2-deoxy-2,3-didehydro-α-neuraminic acid

N-アセチル-4-O-(2-イミノ-2-アミノエチル)-2-デオキシ-2,3-ジデヒドロ-α-ノイラミン酸
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: C13H21N3O8
Molecular formula furigana: C13-H21-N3-O8
Molecular weight: 347.324
InChI: InChI=1S/C13H21N3O8/c1-5(18)16-10-7(23-4-9(14)15)2-8(13(21)22)24-12(10)11(20)6(19)3-17/h2,6-7,10-12,17,19-20H,3-4H2,1H3,(H3,14,15)(H,16,18)(H,21,22)/t6-,7+,10-,11-,12-/m1/s1
InChI key: HPWWUATWVMQHFC-UBBAUMLNSA-N
SMILES: CC(=O)N[C@@H]1[C@@H](OCC(=N)N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (4):
  • (4S)-4α-(2-アミノ-2-イミノエトキシ)-5β-(アセチルアミノ)-6α-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-5,6-ジヒドロ-4H-ピラン-2-カルボン酸
  • N-アセチル-4-O-(2-イミノ-2-アミノエチル)-2-デオキシ-2,3-ジデヒドロ-α-ノイラミン酸
  • (2R,3R,4S)-4-(カルバムイミドイルメトキシ)-3-アセトアミド-2-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-4-(carbamimidoylmethoxy)-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Other name (2):
  • (4S)-4α-(2-Amino-2-iminoethoxy)-5β-(acetylamino)-6α-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
  • N-Acetyl-4-O-(2-imino-2-aminoethyl)-2-deoxy-2,3-didehydro-α-neuraminic acid
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