CID 16204618
5'-ttgtcctccttgcggga-3'
Structural Information
- Molecular Formula
- C165H212N57O91P17S17
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O)S
- InChI
- InChI=1S/C165H212N57O91P17S17/c1-64-34-211(160(240)200-139(64)224)115-23-76(88(287-115)41-264-314(246,247)331)303-321(254,338)273-49-96-80(27-119(290-96)215-38-68(5)143(228)204-164(215)244)307-325(258,342)278-55-102-84(31-123(296-102)220-61-182-129-136(220)192-152(174)197-147(129)232)311-328(261,345)275-51-98-78(25-117(292-98)213-36-66(3)141(226)202-162(213)242)305-323(256,340)269-45-92-72(19-111(285-92)207-13-8-105(167)186-156(207)236)299-317(250,334)266-42-89-73(20-112(282-89)208-14-9-106(168)187-157(208)237)300-318(251,335)271-47-94-77(24-116(288-94)212-35-65(2)140(225)201-161(212)241)304-322(255,339)268-44-91-71(18-110(284-91)206-12-7-104(166)185-155(206)235)298-316(249,333)267-43-90-74(21-113(283-90)209-15-10-107(169)188-158(209)238)301-319(252,336)272-48-95-79(26-118(289-95)214-37-67(4)142(227)203-163(214)243)306-324(257,341)274-50-97-81(28-120(291-97)216-39-69(6)144(229)205-165(216)245)308-326(259,343)277-54-101-83(30-122(295-101)219-60-181-128-135(219)191-151(173)196-146(128)231)310-327(260,344)270-46-93-75(22-114(286-93)210-16-11-108(170)189-159(210)239)302-320(253,337)276-53-100-85(32-124(294-100)221-62-183-130-137(221)193-153(175)198-148(130)233)312-330(263,347)280-56-103-86(33-125(297-103)222-63-184-131-138(222)194-154(176)199-149(131)234)313-329(262,346)279-52-99-82(29-121(293-99)218-59-180-127-134(218)190-150(172)195-145(127)230)309-315(248,332)265-40-87-70(223)17-109(281-87)217-58-179-126-132(171)177-57-178-133(126)217/h7-16,34-39,57-63,70-103,109-125,223H,17-33,40-56H2,1-6H3,(H,248,332)(H,249,333)(H,250,334)(H,251,335)(H,252,336)(H,253,337)(H,254,338)(H,255,339)(H,256,340)(H,257,341)(H,258,342)(H,259,343)(H,260,344)(H,261,345)(H,262,346)(H,263,347)(H2,166,185,235)(H2,167,186,236)(H2,168,187,237)(H2,169,188,238)(H2,170,189,239)(H2,171,177,178)(H,200,224,240)(H,201,225,241)(H,202,226,242)(H,203,227,243)(H,204,228,244)(H,205,229,245)(H2,246,247,331)(H3,172,190,195,230)(H3,173,191,196,231)(H3,174,192,197,232)(H3,175,193,198,233)(H3,176,194,199,234)
- InChIKey
- PBIRPDCNASXVID-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5518.4580 | 311.5 |
[M+Na]+ | 5540.4399 | 311.5 |
[M-H]- | 5516.4434 | 311.5 |
[M+NH4]+ | 5535.4845 | 311.5 |
[M+K]+ | 5556.4139 | 311.5 |
[M+H-H2O]+ | 5500.4480 | 311.5 |
[M+HCOO]- | 5562.4489 | 311.5 |
[M+CH3COO]- | 5576.4646 | 311.5 |
[M+Na-2H]- | 5538.4254 | 311.5 |
[M]+ | 5517.4502 | 311.5 |
[M]- | 5517.4512 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.