Inosine11

Structural Information

Molecular Formula

C₁₁₀H₁₂₃N₄₄O₇₈P₁₁

SMILES

C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CNC6=O)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C8N=CNC9=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CNC2=O)O)OP(=O)(O)O)O

InChI

InChI=1S/C110H123N44O78P11/c155-1-34-67(56(156)100(211-34)144-23-133-45-78(144)111-12-122-89(45)167)223-234(181,182)202-3-36-69(58(158)102(213-36)146-25-135-47-80(146)113-14-124-91(47)169)225-236(185,186)204-5-38-71(60(160)104(215-38)148-27-137-49-82(148)115-16-126-93(49)171)227-238(189,190)206-7-40-73(62(162)106(217-40)150-29-139-51-84(150)117-18-128-95(51)173)229-240(193,194)208-9-42-75(64(164)108(219-42)152-31-141-53-86(152)119-20-130-97(53)175)231-242(197,198)210-11-44-77(66(166)110(221-44)154-33-143-55-88(154)121-22-132-99(55)177)232-243(199,200)209-10-43-76(65(165)109(220-43)153-32-142-54-87(153)120-21-131-98(54)176)230-241(195,196)207-8-41-74(63(163)107(218-41)151-30-140-52-85(151)118-19-129-96(52)174)228-239(191,192)205-6-39-72(61(161)105(216-39)149-28-138-50-83(149)116-17-127-94(50)172)226-237(187,188)203-4-37-70(59(159)103(214-37)147-26-136-48-81(147)114-15-125-92(48)170)224-235(183,184)201-2-35-68(222-233(178,179)180)57(157)101(212-35)145-24-134-46-79(145)112-13-123-90(46)168/h12-44,56-77,100-110,155-166H,1-11H2,(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,111,122,167)(H,112,123,168)(H,113,124,169)(H,114,125,170)(H,115,126,171)(H,116,127,172)(H,117,128,173)(H,118,129,174)(H,119,130,175)(H,120,131,176)(H,121,132,177)(H2,178,179,180)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1

InChIKey

HXCDVODIZZIXRM-DFHNBTAXSA-N

Compound name

[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl] [(2R,3S,4R,5R)-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 72715805