Chem
J-GLOBAL ID：200907015093055648
Nikkaji number：J574.126B
BAD
ベンズアミドアデニンジヌクレオチド
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
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
Molecular formula： C22H28N6O14P2
Molecular formula furigana： C22-H28-N6-O14-P2
Molecular weight： 662.442
InChI：
InChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
InChI key：
HNKKJJHKTPALEK-RACQCECLSA-N
SMILES：
NC(=O)c1cccc(c1)[C@@H]1O[C@H](COP(=O)(O)OP(=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)：
- 3-[5-O-[(5′-アデニリルオキシ)ヒドロキシホスフィニル]-β-D-リボフラノシル]ベンズアミド
- 3-[5-O-(5′-アデニリルオキシホスホニル)-β-D-リボフラノシル]ベンズアミド
- 二りん酸α-(5′-アデノシル)β-[[[(2R)-5α-(3-カルバモイルフェニル)テトラヒドロ-3β,4β-ジヒドロキシフラン]-2α-イル]メチル]
- アデノシン5′-二りん酸P2-[1-(3-カルバモイルフェニル)-1,5-ジデオキシ-β-D-リボフラノース-5-イル]
- 3-[5-O-[(5′-アデニリルオキシ)ホスホニル]-β-D-リボフラノシル]ベンズアミド
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- ベンズアミドアデニンジヌクレオチド
- Benzamide adenine dinucleotide
- 3-[5-O-(5′-Adenylyloxyphosphonyl)-β-D-ribofuranosyl]benzamide
- Diphosphoric acid α-(5′-adenosyl)β-[[[(2R)-5α-(3-carbamoylphenyl)tetrahydro-3β,4β-dihydroxyfuran]-2α-yl]methyl] ester
- Adenosine 5′-diphosphoric acid P2-[1-(3-carbamoylphenyl)-1,5-dideoxy-β-D-ribofuranose-5-yl] ester
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