Chem
J-GLOBAL ID：201007013082647274   Nikkaji number：J2.787.083J

1,2-Didodecanoyl-sn-glycero-3-cytidine-5′-diphosphate

シチジン5′-二りん酸β-[2,3-ビス(ドデカノイルオキシ)プロピル]
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： C36H65N3O15P2
Molecular formula furigana： C36-H65-N3-O15-P2
Molecular weight： 841.870
InChI： InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28?,29-,33-,34-,35-/m1/s1
InChI key： PTPPKXVNJJIECF-AWKWDUEESA-N
SMILES： CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCCCCCCCCCC
Systematic name  (3)：
  • シチジン5′-二りん酸β-[2,3-ビス(ドデカノイルオキシ)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}({[2,3-ビス(ドデカノイルオキシ)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}({[2,3-bis(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (2)：
  • Cytidine 5′-diphosphoric acid β-[2,3-bis(dodecanoyloxy)propyl] ester
  • 1,2-Didodecanoyl-sn-glycero-3-cytidine-5′-diphosphate
KEGG COMPOUND： C13891
Thsaurus map：
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