Chem
J-GLOBAL ID：200907094901730673
Nikkaji number：J672.368C
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid β-[(R)-3-hydroxy-4-[[3-[[2-[(1-oxo-5,8,11,14,17-icosapentenyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-4-[[3-[[2-[(1-オキソ-5,8,11,14,17-イコサペンタエニル)チオ]エチル]アミノ]-3-オキソプロピル]アミノ]-2,2-ジメチル-4-オキソブチル]]
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
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
Molecular formula： C41H64N7O17P3S
Molecular formula furigana： C41-H64-N7-O17-P3-S
Molecular weight： 1051.980
InChI：
InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36+,40-/m1/s1
InChI key：
JWZLRYCDDXHXDL-IBYUJNRCSA-N
SMILES：
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12
Systematic name (3)：
- アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-4-[[3-[[2-[(1-オキソ-5,8,11,14,17-イコサペンタエニル)チオ]エチル]アミノ]-3-オキソプロピル]アミノ]-2,2-ジメチル-4-オキソブチル]]
- {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-3-[(2-{[2-(イコサ-5,8,11,14,17-ペンタエノイルスルファニル)エチル]カルバモイル}エチル)カルバモイル]-2,2-ジメチルプロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(icosa-5,8,11,14,17-pentaenoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- Adenosine 3′-phosphoric acid 5′-[diphosphoric acid β-[(R)-3-hydroxy-4-[[3-[[2-[(1-oxo-5,8,11,14,17-icosapentenyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
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