CID 16134082
5'-d(gggttggtgggtggg)-3'
Structural Information
- Molecular Formula
- C150H185N63O92P14
- 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(OC6CO)N7C=NC8=C7N=C(NC8=O)N)N9C=NC1=C9N=C(NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)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=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/C150H185N63O92P14/c1-50-20-199(147(231)195-121(50)216)85-7-56(72(280-85)27-266-312(247,248)298-62-13-92(207-43-166-103-114(207)177-140(155)188-129(103)224)288-80(62)35-273-316(255,256)301-61-12-91(206-42-165-102-113(206)176-139(154)187-128(102)223)283-75(61)30-264-307(237,238)292-55-6-89(277-69(55)24-214)204-40-163-100-111(204)174-137(152)185-126(100)221)293-308(239,240)265-26-71-57(8-86(279-71)200-21-51(2)122(217)196-148(200)232)294-309(241,242)269-33-78-66(17-96(286-78)211-47-170-107-118(211)181-144(159)192-133(107)228)303-317(257,258)274-36-81-63(14-93(289-81)208-44-167-104-115(208)178-141(156)189-130(104)225)299-313(249,250)267-29-74-59(10-88(282-74)202-23-53(4)124(219)198-150(202)234)296-311(245,246)271-34-79-67(18-97(287-79)212-48-171-108-119(212)182-145(160)193-134(108)229)304-318(259,260)276-38-83-68(19-98(291-83)213-49-172-109-120(213)183-146(161)194-135(109)230)305-319(261,262)275-37-82-64(15-94(290-82)209-45-168-105-116(209)179-142(157)190-131(105)226)300-314(251,252)268-28-73-58(9-87(281-73)201-22-52(3)123(218)197-149(201)233)295-310(243,244)270-32-77-65(16-95(285-77)210-46-169-106-117(210)180-143(158)191-132(106)227)302-315(253,254)272-31-76-60(11-90(284-76)205-41-164-101-112(205)175-138(153)186-127(101)222)297-306(235,236)263-25-70-54(215)5-84(278-70)203-39-162-99-110(203)173-136(151)184-125(99)220/h20-23,39-49,54-98,214-215H,5-19,24-38H2,1-4H3,(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)(H,259,260)(H,261,262)(H,195,216,231)(H,196,217,232)(H,197,218,233)(H,198,219,234)(H3,151,173,184,220)(H3,152,174,185,221)(H3,153,175,186,222)(H3,154,176,187,223)(H3,155,177,188,224)(H3,156,178,189,225)(H3,157,179,190,226)(H3,158,180,191,227)(H3,159,181,192,228)(H3,160,182,193,229)(H3,161,183,194,230)
- InChIKey
- ADVVPBCPMGWBNP-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-[[[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] [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]+ | 4774.8133 | 311.5 |
| [M+Na]+ | 4796.7952 | 311.5 |
| [M-H]- | 4772.7987 | 311.5 |
| [M+NH4]+ | 4791.8398 | 311.5 |
| [M+K]+ | 4812.7692 | 311.5 |
| [M+H-H2O]+ | 4756.8033 | 311.5 |
| [M+HCOO]- | 4818.8042 | 311.5 |
| [M+CH3COO]- | 4832.8199 | 311.5 |
| [M+Na-2H]- | 4794.7807 | 311.6 |
| [M]+ | 4773.8055 | 311.5 |
| [M]- | 4773.8065 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.