Chem
J-GLOBAL ID:201007084194118066   Nikkaji number:J2.802.527K

(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA

(2E,6Z,9Z,12Z,15Z,18Z,21Z)-テトラコサ-2,6,9,12,15,18,21-ヘプタエノイル-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: C45H68N7O17P3S
Molecular formula furigana: C45-H68-N7-O17-P3-S
Molecular weight: 1104.050
InChI: InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1
InChI key: NVOWZIBKQIWTDG-KQZZOKBYSA-N
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C(=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-[[(2E,6Z,9Z,12Z,15Z,18Z,21Z)-1-オキソテトラコサ-2,6,9,12,15,18,21-ヘプタエニル]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-2,2-ジメチル-3-{[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z,21Z)-テトラコサ-2,6,9,12,15,18,21-ヘプ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}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-2,2-dimethyl-3-{[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)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-[[(2E,6Z,9Z,12Z,15Z,18Z,21Z)-1-oxotetracosa-2,6,9,12,15,18,21-heptaenyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA
  • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-テトラコサ-2,6,9,12,15,18,21-ヘプタエノイル-CoA
KEGG COMPOUND: C16374
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