Chem
J-GLOBAL ID：201007028977797929   Nikkaji number：J2.798.477K

(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA

(5Z,8Z,11Z,14Z,17Z)-イコサペンタエノイル-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： 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)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1
InChI key： JWZLRYCDDXHXDL-OLVSHBDVSA-N
SMILES： CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)C(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-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-[[(5Z,8Z,11Z,14Z,17Z)-1-オキソ-5,8,11,14,17-イコサペンタエニル]チオ]エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
  • {[(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(3-ヒドロキシ-3-{[2-({2-[(5Z,8Z,11Z,14Z,17Z)-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(3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z,17Z)-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
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-icosapentaenyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA
  • (5Z,8Z,11Z,14Z,17Z)-イコサペンタエノイル-CoA
KEGG COMPOUND： C16165
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