Chem
J-GLOBAL ID:201007018248159577
Nikkaji number:J2.799.289G
Cyclopropanecarbonyl-CoA
シクロプロパンカルボニル-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:
C25 H40 N7 O17 P3 S
Molecular formula furigana:
C25-H40-N7-O17-P3-S
Molecular weight:
835.610
InChI:
InChI=1S/C25H40N7O17P3S/c1-25(2,19(35)22(36)28-6-5-15(33)27-7-8-53-24(37)13-3-4-13)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,3-10H2,1-2H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1
InChI key:
NCSHVCWGZZSPQT-NNYIDDMCSA-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(O)C(=O)NCCC(=O)NCCSC(=O)C1CC1
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-(シクロプロピルカルボニルチオ)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-(シクロプロパン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-[({[({3-[(2-{[2-(cyclopropanecarbonylsulfanyl)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-(cyclopropylcarbonylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
Cyclopropanecarbonyl-CoA
シクロプロパンカルボニル-CoA
CAS registry number:
52530-01-5
Thsaurus map:
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