Chem
J-GLOBAL ID:201007088724353636   Nikkaji number:J2.798.563G

(11Z,14Z,17Z)-Icosatrienoyl-CoA

(11Z,14Z,17Z)-イコサトリエノイル-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: C41H68N7O17P3S
Molecular formula furigana: C41-H68-N7-O17-P3-S
Molecular weight: 1056.010
InChI: InChI=1S/C41H68N7O17P3S/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/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(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-/t30-,34-,35-,36?,40-/m1/s1
InChI key: BVBYYRVLCDMZNJ-LYEZXGBISA-N
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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-[[(11Z,14Z,17Z)-1-オキソ-11,14,17-イコサトリエニル]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-[(11Z,14Z,17Z)-イコサ-11,14,17-トリ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-[(11Z,14Z,17Z)-icosa-11,14,17-trienoylsulfanyl]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-[[(11Z,14Z,17Z)-1-oxo-11,14,17-icosatrienyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • (11Z,14Z,17Z)-Icosatrienoyl-CoA
  • (11Z,14Z,17Z)-イコサトリエノイル-CoA
KEGG COMPOUND: C16179
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