Chem
J-GLOBAL ID：201007058230413400   Nikkaji number：J2.802.539D

(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA

(6Z,9Z,12Z,15Z,18Z,21Z)-3-ヒドロキシテトラコサ-6,9,12,15,18,21-ヘキサエノイル-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： C45H70N7O18P3S
Molecular formula furigana： C45-H70-N7-O18-P3-S
Molecular weight： 1122.070
InChI： InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40?,44-/m1/s1
InChI key： JJCGUWRDULVWQG-DEZYAHMISA-N
SMILES： CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)CC(=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-[[(6Z,9Z,12Z,15Z,18Z,21Z)-3-ヒドロキシ-1-オキソテトラコサ-6,9,12,15,18,21-ヘキサエニル]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-{[(6Z,9Z,12Z,15Z,18Z,21Z)-3-ヒドロキシテトラコサ-6,9,12,15,18,21-ヘキサエノイル]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-{[(6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}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-[[(6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxy-1-oxotetracosa-6,9,12,15,18,21-hexaenyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • (6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA
  • (6Z,9Z,12Z,15Z,18Z,21Z)-3-ヒドロキシテトラコサ-6,9,12,15,18,21-ヘキサエノイル-CoA
KEGG COMPOUND： C16375
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM