Chem
J-GLOBAL ID:201007090898131432   Nikkaji number:J2.798.479G

(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA

(7Z,10Z,13Z,16Z,19Z)-ド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: C43H68N7O17P3S
Molecular formula furigana: C43-H68-N7-O17-P3-S
Molecular weight: 1080.030
InChI: InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38?,42-/m1/s1
InChI key: NDRVWKXEWNMEEO-PSXFCFOXSA-N
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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-[[(7Z,10Z,13Z,16Z,19Z)-1-オキソ-7,10,13,16,19-ドコサペンタエニル]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)-2-{[({[(3-{[2-({2-[(7Z,10Z,13Z,16Z,19Z)-ドコサ-7,10,13,16,19-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}-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-{[({[(3-{[2-({2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoylsulfanyl]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):
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(7Z,10Z,13Z,16Z,19Z)-1-oxo-7,10,13,16,19-docosapentaenyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA
  • (7Z,10Z,13Z,16Z,19Z)-ドコサペンタエノイル-CoA
KEGG COMPOUND: C16166
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