Chem
J-GLOBAL ID:200907036648175161   Nikkaji number:J14.062G

CDP-glycerol

シチジン二りん酸グリセロール
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: C12H21N3O13P2
Molecular formula furigana: C12-H21-N3-O13-P2
Molecular weight: 477.256
InChI: InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1
InChI key: HHPOUCCVONEPRK-CNYIRLTGSA-N
SMILES: Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1
Systematic name  (3):
  • シチジン5′-二りん酸β-[(S)-2,3-ジヒドロキシプロピル]
  • {[(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}({[(2S)-2,3-ジヒドロキシプロポキシ](ヒドロキシ)ホスホリル}オキシ)ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (4):
  • シチジン二りん酸グリセロール
  • Cytidine diphosphate glycerol
  • Cytidine 5′-diphosphoric acid β-[(S)-2,3-dihydroxypropyl] ester
  • CDP-glycerol
CAS registry number: 6665-99-2
KEGG COMPOUND: C00513
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