Chem
J-GLOBAL ID:201307067065659816
Nikkaji number:J3.180.146J
2′,3′-cGAMP
アデノシン3′,5′-ビスりん酸2′,5′-ジデオキシグアノシン5′,2′-ジイル
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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 H24 N10 O13 P2
Molecular formula furigana:
C20-H24-N10-O13-P2
Molecular weight:
674.417
InChI:
InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChI key:
XRILCFTWUCUKJR-INFSMZHSSA-N
SMILES:
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12
Systematic name (5):
2′-O,5′-O-[(アデノシン-3′-O,5′-O-ジイル)ビスホスフィニコ]グアノシン
5′-O,2′-O-[3′,5′-ジデオキシアデノシン-3′,5′-ジイルビス[オキシ(ヒドロキシホスフィニリデン)]]グアノシン
アデノシン3′,5′-ビスりん酸2′,5′-ジデオキシグアノシン5′,2′-ジイル
(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-8-(6-アミノ-9H-プリン-9-イル)-3,9,12,18-テトラヒドロキシ-2,4,7,11,13,16-ヘキサオキサ-3λ5, 12λ5 -ジホスファトリシクロ[13.2.1.06,10 ]オクタデカン-3,12-ジオン
(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3λ5, 12λ5 -diphosphatricyclo[13.2.1.06,10 ]octadecane-3,12-dione
Other name (4):
2′-O,5′-O-[(Adenosine-3′-O,5′-O-diyl)bisphosphinico]guanosine
5′-O,2′-O-[3′,5′-Dideoxyadenosine-3′,5′-diylbis[oxy(hydroxyphosphinylidene)]]guanosine
Adenosine 3′,5′-bisphosphoric acid 2′,5′-dideoxyguanosine 5′,2′-diyl ester
2′,3′-cGAMP
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