CID 16186523
5'-gtctgggtggagggt-3'
Structural Information
- Molecular Formula
- C149H185N61O91P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C149H185N61O91P14/c1-52-22-197(146(227)192-123(52)213)87-7-56(212)72(274-87)27-259-302(231,232)293-63-14-94(203-44-165-104-115(203)175-137(153)184-128(104)218)280-78(63)33-268-311(249,250)299-69-20-100(209-50-171-110-121(209)181-143(159)190-134(110)224)286-84(69)39-272-315(257,258)300-68-19-99(208-49-170-109-120(208)180-142(158)189-133(109)223)283-81(68)36-267-309(245,246)294-62-13-92(201-42-163-102-112(151)161-41-162-113(102)201)279-77(62)32-264-310(247,248)296-67-18-98(207-48-169-108-119(207)179-141(157)188-132(108)222)285-83(67)38-270-312(251,252)297-66-17-97(206-47-168-107-118(206)178-140(156)187-131(107)221)282-80(66)35-266-307(241,242)292-61-12-91(200-25-55(4)126(216)195-149(200)230)278-76(61)31-263-308(243,244)295-64-15-95(204-45-166-105-116(204)176-138(154)185-129(105)219)284-82(64)37-269-314(255,256)301-70-21-101(210-51-172-111-122(210)182-144(160)191-135(111)225)287-85(70)40-271-313(253,254)298-65-16-96(205-46-167-106-117(205)177-139(155)186-130(106)220)281-79(65)34-265-306(239,240)291-60-11-90(199-24-54(3)125(215)194-148(199)229)277-75(60)30-262-304(235,236)289-58-9-88(196-6-5-86(150)173-145(196)226)275-73(58)28-261-305(237,238)290-59-10-89(198-23-53(2)124(214)193-147(198)228)276-74(59)29-260-303(233,234)288-57-8-93(273-71(57)26-211)202-43-164-103-114(202)174-136(152)183-127(103)217/h5-6,22-25,41-51,56-85,87-101,211-212H,7-21,26-40H2,1-4H3,(H,231,232)(H,233,234)(H,235,236)(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)(H2,150,173,226)(H2,151,161,162)(H,192,213,227)(H,193,214,228)(H,194,215,229)(H,195,216,230)(H3,152,174,183,217)(H3,153,175,184,218)(H3,154,176,185,219)(H3,155,177,186,220)(H3,156,178,187,221)(H3,157,179,188,222)(H3,158,180,189,223)(H3,159,181,190,224)(H3,160,182,191,225)
- InChIKey
- HWYLTCOBCOFASU-UHFFFAOYSA-N
- Compound name
- [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-[[[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-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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-(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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4718.8123 | 311.5 |
[M+Na]+ | 4740.7942 | 311.5 |
[M-H]- | 4716.7977 | 311.5 |
[M+NH4]+ | 4735.8388 | 311.5 |
[M+K]+ | 4756.7682 | 311.5 |
[M+H-H2O]+ | 4700.8023 | 311.5 |
[M+HCOO]- | 4762.8032 | 311.5 |
[M+CH3COO]- | 4776.8189 | 311.5 |
[M+Na-2H]- | 4738.7797 | 311.6 |
[M]+ | 4717.8045 | 311.5 |
[M]- | 4717.8055 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.