Chem
J-GLOBAL ID：201007038992351576   Nikkaji number：J2.787.084H

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5′-diphosphate

シチジン5′-二りん酸β-[3-(ヘキサデカノイルオキシ)-2-[[(9Z)-9-オクタデセノイル]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： C46H83N3O15P2
Molecular formula furigana： C46-H83-N3-O15-P2
Molecular weight： 980.124
InChI： InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38?,39-,43-,44-,45-/m1/s1
InChI key： FPQIENQTTUVFMM-DHTCHAQCSA-N
SMILES： CCCCCCCCCCCCCCCC(=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)CCCCCCC/C=C\CCCCCCCC
Systematic name  (3)：
  • シチジン5′-二りん酸β-[3-(ヘキサデカノイルオキシ)-2-[[(9Z)-9-オクタデセノイル]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}({[3-(ヘキサデカノイルオキシ)-2-[(9Z)-オクタデカ-9-エノイルオキシ]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}({[3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (2)：
  • Cytidine 5′-diphosphoric acid β-[3-(hexadecanoyloxy)-2-[[(9Z)-9-octadecenoyl]oxy]propyl] ester
  • 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5′-diphosphate
KEGG COMPOUND： C13892
Thsaurus map：
Thesaurus Map

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