Chem
J-GLOBAL ID：200907084050680559   Nikkaji number：J838.846F

CMP-Neu5Ac

CMP-Neu5Ac
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： C20H31N4O16P
Molecular formula furigana： C20-H31-N4-O16-P
Molecular weight： 614.454
InChI： InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1
InChI key： TXCIAUNLDRJGJZ-BILDWYJOSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@](OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (7)：
  • 2-O-(5′-シチジリル)-N-アセチル-β-ノイラミン酸
  • シチジン5′-りん酸N-アセチル-β-ノイラミノシル
  • 5′-シチジル酸N-アセチル-β-ノイラミノシル
  • N-アセチル-2-O-(5′-シチジリル)-β-ノイラミン酸
  • 5′-シチジル酸[2-カルボキシ-4α-ヒドロキシ-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]テトラヒドロ-2H-ピラン-2β-イル]
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Other name (13)：
  • 2-O-(5′-Cytidylyl)-N-acetyl-β-neuraminic acid
  • Cytidine 5′-phosphoric acid N-acetyl-β-neuraminosyl ester
  • 5′-Cytidylic acid N-acetyl-β-neuraminosyl ester
  • N-Acetyl-2-O-(5′-cytidylyl)-β-neuraminic acid
  • CMP-Neu5Ac
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