Chem
J-GLOBAL ID：200907057743045035   Nikkaji number：J2.004.238I

4′-Phosphopantothenoyl-CMP

4′-ホスホパントテノイル-CMP
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： C18H30N4O15P2
Molecular formula furigana： C18-H30-N4-O15-P2
Molecular weight： 604.399
InChI： InChI=1S/C18H30N4O15P2/c1-18(2,8-35-38(29,30)31)14(26)15(27)20-5-3-11(23)37-39(32,33)34-7-9-12(24)13(25)16(36-9)22-6-4-10(19)21-17(22)28/h4,6,9,12-14,16,24-26H,3,5,7-8H2,1-2H3,(H,20,27)(H,32,33)(H2,19,21,28)(H2,29,30,31)/t9-,12-,13-,14+,16-/m1/s1
InChI key： JURRMAHLXBVXRF-FIEZRUJPSA-N
SMILES： CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
Systematic name  (4)：
  • 5′-O-[N-[(R)-2-ヒドロキシ-3,3-ジメチル-4-(ホスホノオキシ)ブチリル]-β-アラニルオキシホスホニル]シチジン
  • 5′-シチジル酸3-[[(2R)-2-ヒドロキシ-3,3-ジメチル-4-(ホスホノオキシ)ブチリル]アミノ]プロピオニル
  • [(3R)-3-({3-[({[(2R,3S,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]-3-オキソプロピル}カルバモイル)-3-ヒドロキシ-2,2-ジメチルプロポキシ]ホスホン酸
  • [(3R)-3-({3-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-3-oxopropyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy]phosphonic acid
Other name (4)：
  • 5′-O-[N-[(R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butyryl]-β-alanyloxyphosphonyl]cytidine
  • 4′-ホスホパントテノイル-CMP
  • 4′-Phosphopantothenoyl-CMP
  • 5′-Cytidylic acid 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butyryl]amino]propionyl ester
Thsaurus map：
Thesaurus Map

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