D(gcatcaagcagc)p-mpeg

Structural Information

Molecular Formula

C₁₁₉H₁₅₃N₄₉O₇₁P₁₂

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5CO)N6C=NC7=C6N=C(NC7=O)N)N8C=CC(=NC8=O)N)N9C=NC1=C(N=CN=C19)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCCOC

InChI

InChI=1S/C119H153N49O71P12/c1-49-25-161(119(178)156-108(49)170)82-18-55(67(221-82)31-209-248(195,196)234-56-19-83(162-42-139-90-97(124)131-38-135-101(90)162)222-68(56)32-210-242(183,184)230-52-15-79(158-8-4-75(121)147-116(158)175)218-64(52)28-205-241(181,182)228-50-13-87(216-62(50)26-169)166-46-143-94-105(166)150-112(128)153-109(94)171)233-245(189,190)207-29-65-53(16-80(219-65)159-9-5-76(122)148-117(159)176)231-243(185,186)211-33-69-57(20-84(223-69)163-43-140-91-98(125)132-39-136-102(91)163)235-249(197,198)213-35-71-59(22-86(225-71)165-45-142-93-100(127)134-41-138-104(93)165)237-251(201,202)215-37-73-61(24-89(227-73)168-48-145-96-107(168)152-114(130)155-111(96)173)239-247(193,194)208-30-66-54(17-81(220-66)160-10-6-77(123)149-118(160)177)232-244(187,188)212-34-70-58(21-85(224-70)164-44-141-92-99(126)133-40-137-103(92)164)236-250(199,200)214-36-72-60(23-88(226-72)167-47-144-95-106(167)151-113(129)154-110(95)172)238-246(191,192)206-27-63-51(229-240(179,180)204-12-11-203-2)14-78(217-63)157-7-3-74(120)146-115(157)174/h3-10,25,38-48,50-73,78-89,169H,11-24,26-37H2,1-2H3,(H,179,180)(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,201,202)(H2,120,146,174)(H2,121,147,175)(H2,122,148,176)(H2,123,149,177)(H2,124,131,135)(H2,125,132,136)(H2,126,133,137)(H2,127,134,138)(H,156,170,178)(H3,128,150,153,171)(H3,129,151,154,172)(H3,130,152,155,173)

InChIKey

YHXYGMJFKMTKRO-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy(2-methoxyethoxy)phosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16131797