CID 16134083
5'-d(gggttggtgggtgggt)-3'
Structural Information
- Molecular Formula
- C160H198N65O99P15
- 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(OC1COP(=O)(O)OC1CC(OC1CO)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=C(C(=O)NC1=O)C)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=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=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C160H198N65O99P15/c1-54-22-210(156(244)205-129(54)228)91-6-59(227)76(295-91)28-279-325(249,250)315-65-12-97(216-44-173-108-119(216)184-146(162)195-135(108)234)301-82(65)34-288-334(267,268)323-73-20-105(224-52-181-116-127(224)192-154(170)203-143(116)242)308-89(73)41-292-337(273,274)321-71-18-103(222-50-179-114-125(222)190-152(168)201-141(114)240)303-84(71)36-286-329(257,258)314-64-11-95(214-26-58(5)133(232)209-160(214)248)299-80(64)32-284-333(265,266)318-69-16-101(220-48-177-112-123(220)188-150(166)199-139(112)238)307-88(69)40-291-339(277,278)324-74-21-106(225-53-182-117-128(225)193-155(171)204-144(117)243)309-90(74)42-293-338(275,276)322-72-19-104(223-51-180-115-126(223)191-153(169)202-142(115)241)304-85(72)37-287-330(259,260)313-63-10-94(213-25-57(4)132(231)208-159(213)247)298-79(63)31-283-332(263,264)317-68-15-100(219-47-176-111-122(219)187-149(165)198-138(111)237)306-87(68)39-290-336(271,272)320-70-17-102(221-49-178-113-124(221)189-151(167)200-140(113)239)302-83(70)35-285-328(255,256)312-62-9-93(212-24-56(3)131(230)207-158(212)246)296-77(62)29-281-327(253,254)311-61-8-92(211-23-55(2)130(229)206-157(211)245)297-78(61)30-282-331(261,262)316-67-14-99(218-46-175-110-121(218)186-148(164)197-137(110)236)305-86(67)38-289-335(269,270)319-66-13-98(217-45-174-109-120(217)185-147(163)196-136(109)235)300-81(66)33-280-326(251,252)310-60-7-96(294-75(60)27-226)215-43-172-107-118(215)183-145(161)194-134(107)233/h22-26,43-53,59-106,226-227H,6-21,27-42H2,1-5H3,(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,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,205,228,244)(H,206,229,245)(H,207,230,246)(H,208,231,247)(H,209,232,248)(H3,161,183,194,233)(H3,162,184,195,234)(H3,163,185,196,235)(H3,164,186,197,236)(H3,165,187,198,237)(H3,166,188,199,238)(H3,167,189,200,239)(H3,168,190,201,240)(H3,169,191,202,241)(H3,170,192,203,242)(H3,171,193,204,243)
- InChIKey
- DMWUJGQRPLVKMP-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-[[[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-[[[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]-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-(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] [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]+ | 5078.8593 | 311.5 |
[M+Na]+ | 5100.8412 | 311.6 |
[M-H]- | 5076.8447 | 311.5 |
[M+NH4]+ | 5095.8858 | 311.5 |
[M+K]+ | 5116.8152 | 311.5 |
[M+H-H2O]+ | 5060.8493 | 311.5 |
[M+HCOO]- | 5122.8502 | 311.5 |
[M+CH3COO]- | 5136.8659 | 311.5 |
[M+Na-2H]- | 5098.8267 | 311.6 |
[M]+ | 5077.8515 | 311.6 |
[M]- | 5077.8525 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.