Chem
J-GLOBAL ID:200907051847490067
Nikkaji number:J1.906.265A
N,N′-Diacetyllegionaminic acid
N,N′-ジアセチルレジオナミン酸
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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:
C13 H22 N2 O8
Molecular formula furigana:
C13-H22-N2-O8
Molecular weight:
334.325
InChI:
InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8+,9-,10-,11+,13+/m1/s1
InChI key:
ZJOSXOOPEBJBMC-DAJNMGJPSA-N
SMILES:
C[C@@H](O)[C@@H](NC(=O)C)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)C)C(=O)O
Systematic name (3):
N-アセチル-7-(アセチルアミノ)-7,9-ジデオキシ-β-ノイラミン酸
(2S,4S,5R,6S)-5-アセトアミド-6-[(1R,2R)-1-アセトアミド-2-ヒドロキシプロピル]-2,4-ジヒドロキシオキサン-2-カルボン酸
(2S,4S,5R,6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Other name (3):
N-Acetyl-7-(acetylamino)-7,9-dideoxy-β-neuraminic acid
N,N′-ジアセチルレジオナミン酸
N,N′-Diacetyllegionaminic acid
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