CID 16134088
5'-d(gggtgggtgggtggg)-3'
Structural Information
- Molecular Formula
- C150H184N66O91P14
- 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=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C150H184N66O91P14/c1-49-19-202(148(234)199-121(49)219)83-6-54(295-310(241,242)270-29-74-62(14-92(286-74)212-44-170-104-116(212)182-143(158)194-131(104)229)303-316(253,254)273-28-73-57(9-87(285-73)207-39-165-99-111(207)177-138(153)189-126(99)224)298-308(237,238)265-23-68-52(218)4-82(280-68)205-37-163-97-109(205)175-136(151)187-124(97)222)70(282-83)25-268-314(249,250)300-60-12-90(210-42-168-102-114(210)180-141(156)192-129(102)227)290-78(60)33-275-320(261,262)306-65-17-95(215-47-173-107-119(215)185-146(161)197-134(107)232)293-81(65)36-278-319(259,260)305-64-16-94(214-46-172-106-118(214)184-145(160)196-133(106)231)288-76(64)31-272-312(245,246)297-56-8-85(204-21-51(3)123(221)201-150(204)236)283-71(56)26-269-315(251,252)301-61-13-91(211-43-169-103-115(211)181-142(157)193-130(103)228)291-79(61)34-276-321(263,264)307-66-18-96(216-48-174-108-120(216)186-147(162)198-135(108)233)292-80(66)35-277-318(257,258)304-63-15-93(213-45-171-105-117(213)183-144(159)195-132(105)230)287-75(63)30-271-311(243,244)296-55-7-84(203-20-50(2)122(220)200-149(203)235)281-69(55)24-267-313(247,248)299-59-11-89(209-41-167-101-113(209)179-140(155)191-128(101)226)289-77(59)32-274-317(255,256)302-58-10-88(208-40-166-100-112(208)178-139(154)190-127(100)225)284-72(58)27-266-309(239,240)294-53-5-86(279-67(53)22-217)206-38-164-98-110(206)176-137(152)188-125(98)223/h19-21,37-48,52-96,217-218H,4-18,22-36H2,1-3H3,(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,199,219,234)(H,200,220,235)(H,201,221,236)(H3,151,175,187,222)(H3,152,176,188,223)(H3,153,177,189,224)(H3,154,178,190,225)(H3,155,179,191,226)(H3,156,180,192,227)(H3,157,181,193,228)(H3,158,182,194,229)(H3,159,183,195,230)(H3,160,184,196,231)(H3,161,185,197,232)(H3,162,186,198,233)
- InChIKey
- AJIPTXGMAWEPHP-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4799.8198 | 311.5 |
[M+Na]+ | 4821.8017 | 311.5 |
[M-H]- | 4797.8052 | 311.5 |
[M+NH4]+ | 4816.8463 | 311.5 |
[M+K]+ | 4837.7757 | 311.5 |
[M+H-H2O]+ | 4781.8098 | 311.5 |
[M+HCOO]- | 4843.8107 | 311.5 |
[M+CH3COO]- | 4857.8264 | 311.5 |
[M+Na-2H]- | 4819.7872 | 311.5 |
[M]+ | 4798.8120 | 311.5 |
[M]- | 4798.8130 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.