CID 16204541
5'-gspgttggtgtggttgspg-3'
Structural Information
- Molecular Formula
- C150H187N57O94P15S2
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO[P+](=O)O)N6C=NC7=C6N=C(NC7=O)N)N8C=NC9=C8N=C(NC9=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=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C150H186N57O94P15S2/c1-52-22-193(145(224)187-121(52)209)89-8-59(288-304(234,235)260-31-76-64(13-94(276-76)198-27-57(6)126(214)192-150(198)229)293-314(254,255)270-41-86-72(21-102(286-86)207-51-168-111-120(207)177-144(159)186-135(111)223)301-315(256,317)271-29-73-58(208)7-88(273-73)199-43-160-103-112(199)169-136(151)178-127(103)215)77(277-89)32-261-309(244,245)295-66-15-96(201-45-162-105-114(201)171-138(153)180-129(105)217)284-84(66)39-268-312(250,251)298-69-18-99(204-48-165-108-117(204)174-141(156)183-132(108)220)283-83(69)38-267-307(240,241)292-63-12-93(197-26-56(5)125(213)191-149(197)228)278-78(63)33-262-308(242,243)294-65-14-95(200-44-161-104-113(200)170-137(152)179-128(104)216)281-81(65)36-265-306(238,239)291-62-11-92(196-25-55(4)124(212)190-148(196)227)279-79(62)34-263-310(246,247)296-67-16-97(202-46-163-106-115(202)172-139(154)181-130(106)218)285-85(67)40-269-311(248,249)297-68-17-98(203-47-164-107-116(203)173-140(155)182-131(107)219)282-82(68)37-266-305(236,237)290-61-10-91(195-24-54(3)123(211)189-147(195)226)275-75(61)30-259-303(232,233)289-60-9-90(194-23-53(2)122(210)188-146(194)225)280-80(60)35-264-313(252,253)299-70-19-100(205-49-166-109-118(205)175-142(157)184-133(109)221)287-87(70)42-272-316(257,318)300-71-20-101(274-74(71)28-258-302(230)231)206-50-167-110-119(206)176-143(158)185-134(110)222/h22-27,43-51,58-102,208H,7-21,28-42H2,1-6H3,(H47-,151,152,153,154,155,156,157,158,159,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,317,318)/p+1
- InChIKey
- GANSJSSGOHHILC-UHFFFAOYSA-O
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4819.7183 | 311.6 |
[M+Na]+ | 4841.7002 | 311.6 |
[M-H]- | 4817.7037 | 311.6 |
[M+NH4]+ | 4836.7448 | 311.6 |
[M+K]+ | 4857.6742 | 311.6 |
[M+H-H2O]+ | 4801.7083 | 311.5 |
[M+HCOO]- | 4863.7092 | 311.6 |
[M+CH3COO]- | 4877.7249 | 311.6 |
[M+Na-2H]- | 4839.6857 | 311.6 |
[M]+ | 4818.7105 | 311.6 |
[M]- | 4818.7115 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.