Chem
J-GLOBAL ID：200907063143573704   Nikkaji number：J394.330E

2-Bromotetradecanoyl CoA

2-ブロモテトラデカノイルCoA
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： C35H61BrN7O17P3S
Molecular formula furigana： C35-H61-BR-N7-O17-P3-S
Molecular weight： 1056.790
InChI： InChI=1S/C35H61BrN7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-23(36)34(48)64-18-17-38-25(44)15-16-39-32(47)29(46)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-28(59-61(49,50)51)27(45)33(58-24)43-22-42-26-30(37)40-21-41-31(26)43/h21-24,27-29,33,45-46H,4-20H2,1-3H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t23?,24-,27-,28-,29+,33-/m1/s1
InChI key： AMNNZUZFRJUVKA-UCXPIXOESA-N
SMILES： CCCCCCCCCCCCC(Br)C(=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P2-[(R)-3-ヒドロキシ-2,2-ジメチル-3-[[2-[[2-(2-ブロモテトラデカノイルチオ)エチル]カルバモイル]エチル]カルバモイル]プロピル]]
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-({[({[(3R)-3-{[2-({2-[(2-ブロモテトラデカノイル)スルファニル]エチル}カルバモイル)エチル]カルバモイル}-3-ヒドロキシ-2,2-ジメチルプロポキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(2-bromotetradecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • 2-Bromotetradecanoyl CoA
  • 2-ブロモテトラデカノイルCoA
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(2-bromotetradecanoylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
Application (1)：
enzyme inhibitor
Thsaurus map：
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