Chem
J-GLOBAL ID:200907040006085530
Nikkaji number:J651.177E
β-Methylene TAD
β-メチレンTAD
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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:
C20 H27 N7 O13 P2 S
Molecular formula furigana:
C20-H27-N7-O13-P2-S
Molecular weight:
667.480
InChI:
InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
InChI key:
CRWWKLKZKYLFQV-HVIRUEHBSA-N
SMILES:
NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Systematic name (7):
2-[5-O-[(5′-アデニリルメチル)ヒドロキシホスフィニル]-β-D-リボフラノシル]チアゾール-4-カルボアミド
2-[5-O-[(5′-アデニリルメチル)ホスホニル]-β-D-リボフラノシル]チアゾール-4-カルボアミド
[α,β-メチレン]二りん酸α-(5′-アデノシル)β-[[[(2R)-5α-[4-(アミノカルボニル)チアゾール-2-イル]テトラヒドロ-3β,4β-ジヒドロキシフラン]-2α-イル]メチル]
2-[5-O-(5′-アデニリルメチルホスホニル)-β-D-リボフラノシル]チアゾール-4-カルボアミド
アデノシン5′-[[[1-(4-カルバモイル-2-チアゾリル)-1,5-ジデオキシ-β-D-リボフラノース]-5-イルホスホノメチル]ホスホン酸]
{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}[({[(2R,3S,4R,5R)-5-(4-カルバモイル-1,3-チアゾール-2-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)メチル]ホスフィン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphinic acid
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Other name (6):
2-[5-O-[(5′-Adenylylmethyl)phosphonyl]-β-D-ribofuranosyl]thiazole-4-carboxamide
[α,β-Methylene]diphosphoric acid α-(5′-adenosyl)β-[[[(2R)-5α-[4-(aminocarbonyl)thiazole-2-yl]tetrahydro-3β,4β-dihydroxyfuran]-2α-yl]methyl] ester
2-[5-O-(5′-Adenylylmethylphosphonyl)-β-D-ribofuranosyl]thiazole-4-carboxamide
β-メチレンTAD
β-Methylene TAD
Adenosine 5′-[[[1-(4-carbamoyl-2-thiazolyl)-1,5-dideoxy-β-D-ribofuranose]-5-ylphosphonomethyl]phosphonic acid]
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