CID 16204667
5'-tcctccttgcgggag-3'
Structural Information
- Molecular Formula
- C145H186N53O79P15S15
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C145H186N53O79P15S15/c1-56-30-189(142(214)180-123(56)200)101-21-66(76(255-101)35-234-278(218,219)293)269-285(226,300)238-38-79-61(16-96(252-79)184-10-5-90(146)165-137(184)209)264-280(221,295)236-36-77-63(18-98(250-77)186-12-7-92(148)167-139(186)211)266-282(223,297)241-41-82-67(22-102(256-82)190-31-57(2)124(201)181-143(190)215)270-286(227,301)239-39-80-62(17-97(253-80)185-11-6-91(147)166-138(185)210)265-281(222,296)237-37-78-64(19-99(251-78)187-13-8-93(149)168-140(187)212)267-283(224,298)242-42-83-68(23-103(257-83)191-32-58(3)125(202)182-144(191)216)271-287(228,302)243-43-84-69(24-104(258-84)192-33-59(4)126(203)183-145(192)217)272-288(229,303)246-46-87-71(26-106(261-87)195-52-161-112-119(195)171-133(153)176-128(112)205)274-289(230,304)240-40-81-65(20-100(254-81)188-14-9-94(150)169-141(188)213)268-284(225,299)245-45-86-72(27-107(260-86)196-53-162-113-120(196)172-134(154)177-129(113)206)276-291(232,306)248-48-89-74(29-109(263-89)198-55-164-115-122(198)174-136(156)179-131(115)208)277-292(233,307)247-47-88-73(28-108(262-88)197-54-163-114-121(197)173-135(155)178-130(114)207)275-290(231,305)244-44-85-70(25-105(259-85)193-50-159-110-116(151)157-49-158-117(110)193)273-279(220,294)235-34-75-60(199)15-95(249-75)194-51-160-111-118(194)170-132(152)175-127(111)204/h5-14,30-33,49-55,60-89,95-109,199H,15-29,34-48H2,1-4H3,(H,220,294)(H,221,295)(H,222,296)(H,223,297)(H,224,298)(H,225,299)(H,226,300)(H,227,301)(H,228,302)(H,229,303)(H,230,304)(H,231,305)(H,232,306)(H,233,307)(H2,146,165,209)(H2,147,166,210)(H2,148,167,211)(H2,149,168,212)(H2,150,169,213)(H2,151,157,158)(H,180,200,214)(H,181,201,215)(H,182,202,216)(H,183,203,217)(H2,218,219,293)(H3,152,170,175,204)(H3,153,171,176,205)(H3,154,172,177,206)(H3,155,173,178,207)(H3,156,174,179,208)
- InChIKey
- GFZFKWFOVFCDGM-UHFFFAOYSA-N
- Compound name
- 1-[4-[[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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-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-(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]+ | 4878.4116 | 311.5 |
[M+Na]+ | 4900.3935 | 311.5 |
[M-H]- | 4876.3970 | 311.5 |
[M+NH4]+ | 4895.4381 | 311.5 |
[M+K]+ | 4916.3675 | 311.5 |
[M+H-H2O]+ | 4860.4016 | 311.5 |
[M+HCOO]- | 4922.4025 | 311.5 |
[M+CH3COO]- | 4936.4182 | 311.5 |
[M+Na-2H]- | 4898.3790 | 311.5 |
[M]+ | 4877.4038 | 311.5 |
[M]- | 4877.4048 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.