Chem
J-GLOBAL ID:200907090497010488
Nikkaji number:J468.235A
1-Cyclohexenylcarbonyl CoA
1-シクロヘキセニルカルボニルCoA
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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:
C28 H44 N7 O17 P3 S
Molecular formula furigana:
C28-H44-N7-O17-P3-S
Molecular weight:
875.670
InChI:
InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
InChI key:
YTTZSBMCHSFQSJ-TYHXJLICSA-N
SMILES:
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1
Systematic name (4):
アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-2,2-ジメチル-4-[[3-[[2-(1-シクロヘキセニルカルボニルチオ)エチル]アミノ]-3-オキソプロピル]アミノ]-4-オキソブチル]]
アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-4-[[3-[[2-[(1-シクロヘキセニルカルボニル)チオ]エチル]アミノ]-3-オキソプロピル]アミノ]-2,2-ジメチル-4-オキソブチル]]
{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-({[({[(3R)-3-[(2-{[2-(シクロヘキサ-1-エン-1-カルボニルスルファニル)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-({[({[(3R)-3-[(2-{[2-(cyclohex-1-ene-1-carbonylsulfanyl)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 (6):
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