Chem
J-GLOBAL ID：201007069033888580   Nikkaji number：J2.777.868B

3-Isopropenylpimelyl-CoA

3-イソプロペニルピメリル-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： C31H50N7O19P3S
Molecular formula furigana： C31-H50-N7-O19-P3-S
Molecular weight： 949.750
InChI： InChI=1S/C31H50N7O19P3S/c1-17(2)18(12-21(40)41)6-5-7-22(42)61-11-10-33-20(39)8-9-34-29(45)26(44)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-25(56-58(46,47)48)24(43)30(55-19)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,18-19,24-26,30,43-44H,1,5-14H2,2-4H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,24-,25-,26?,30-/m1/s1
InChI key： AAKIIQMDPGWYFD-FFZYTXIOSA-N
SMILES： CC(=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)CC(=O)O
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-(5-イソプロペニル-7-ヒドロキシ-7-オキソヘプタノイルチオ)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]]
  • 7-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(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]-2-ヒドロキシ-3-メチルブタンアミド}プロパンアミド)エチル]スルファニル}-7-オキソ-3-(プロパ-1-エン-2-イル)ヘプタン酸
  • 7-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-7-oxo-3-(prop-1-en-2-yl)heptanoic acid
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(5-isopropenyl-7-hydroxy-7-oxoheptanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-Isopropenylpimelyl-CoA
  • 3-イソプロペニルピメリル-CoA
KEGG COMPOUND： C11936
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