CID 16131974
5'-guggacuucgguccac-3'
Structural Information
- Molecular Formula
- C151H189N58O112P15
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OC6C(OC(C6O)N7C=CC(=NC7=O)N)COP(=O)(O)OC8C(OC(C8O)N9C=CC(=NC9=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)CO)O)O
- InChI
- InChI=1S/C151H189N58O112P15/c152-60-1-10-194(143(237)175-60)122-77(216)76(215)45(292-122)20-276-322(246,247)316-102-54(301-131(87(102)226)203-37-168-69-108(157)164-35-166-110(69)203)29-285-329(260,261)310-96-47(294-125(81(96)220)197-13-4-63(155)178-146(197)240)22-278-324(250,251)308-94-46(293-123(79(94)218)195-11-2-61(153)176-144(195)238)23-279-327(256,257)313-101-53(300-130(86(101)225)202-18-9-68(214)183-151(202)245)28-284-333(268,269)318-104-58(305-134(89(104)228)206-40-171-72-113(206)185-139(160)190-118(72)233)33-289-335(272,273)320-105-56(303-135(90(105)229)207-41-172-73-114(207)186-140(161)191-119(73)234)31-287-330(262,263)311-97-48(295-126(82(97)221)198-14-5-64(156)179-147(198)241)24-280-326(254,255)312-99-52(299-128(84(99)223)200-16-7-66(212)181-149(200)243)27-282-328(258,259)314-100-51(298-129(85(100)224)201-17-8-67(213)182-150(201)244)26-281-325(252,253)309-95-49(296-124(80(95)219)196-12-3-62(154)177-145(196)239)25-283-332(266,267)317-103-55(302-132(88(103)227)204-38-169-70-109(158)165-36-167-111(70)204)30-286-334(270,271)319-107-59(306-137(92(107)231)209-43-174-75-116(209)188-142(163)193-121(75)236)34-290-336(274,275)321-106-57(304-136(91(106)230)208-42-173-74-115(208)187-141(162)192-120(74)235)32-288-331(264,265)315-98-50(297-127(83(98)222)199-15-6-65(211)180-148(199)242)21-277-323(248,249)307-93-44(19-210)291-133(78(93)217)205-39-170-71-112(205)184-138(159)189-117(71)232/h1-18,35-59,76-107,122-137,210,215-231H,19-34H2,(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H2,152,175,237)(H2,153,176,238)(H2,154,177,239)(H2,155,178,240)(H2,156,179,241)(H2,157,164,166)(H2,158,165,167)(H,180,211,242)(H,181,212,243)(H,182,213,244)(H,183,214,245)(H3,159,184,189,232)(H3,160,185,190,233)(H3,161,186,191,234)(H3,162,187,192,235)(H3,163,188,193,236)
- InChIKey
- FRUQVPKKBARISZ-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-[[[2-[[[2-[[[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)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5071.7013 | 312.0 |
[M+Na]+ | 5093.6832 | 312.0 |
[M-H]- | 5069.6867 | 312.0 |
[M+NH4]+ | 5088.7278 | 312.0 |
[M+K]+ | 5109.6572 | 311.9 |
[M+H-H2O]+ | 5053.6913 | 311.9 |
[M+HCOO]- | 5115.6922 | 311.9 |
[M+CH3COO]- | 5129.7079 | 311.9 |
[M+Na-2H]- | 5091.6687 | 311.9 |
[M]+ | 5070.6935 | 312.0 |
[M]- | 5070.6945 | 312.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.