CID 16197358
Acc caa ttc tga aaa t
Structural Information
- Molecular Formula
- C156H198N60O94P16
- 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(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C156H198N60O94P16/c1-64-29-205(153(227)197-143(64)218)104-13-68(217)84(280-104)33-265-312(234,235)304-77-22-113(210-57-184-121-129(162)170-50-177-136(121)210)289-93(77)42-274-322(254,255)307-80-25-116(213-60-187-124-132(165)173-53-180-139(124)213)292-96(80)45-276-324(258,259)308-81-26-117(214-61-188-125-133(166)174-54-181-140(125)214)293-97(81)46-277-325(260,261)309-82-27-118(215-62-189-126-134(167)175-55-182-141(126)215)294-98(82)47-278-326(262,263)310-83-28-119(216-63-190-127-142(216)195-148(168)196-147(127)222)295-99(83)48-279-319(248,249)302-75-20-111(208-32-67(4)146(221)200-156(208)230)285-90(75)39-270-315(240,241)298-71-16-107(203-11-7-102(159)193-151(203)225)283-88(71)37-268-317(244,245)300-73-18-109(206-30-65(2)144(219)198-154(206)228)286-91(73)40-271-318(246,247)301-74-19-110(207-31-66(3)145(220)199-155(207)229)287-92(74)41-272-321(252,253)305-78-23-114(211-58-185-122-130(163)171-51-178-137(122)211)291-95(78)44-275-323(256,257)306-79-24-115(212-59-186-123-131(164)172-52-179-138(123)212)290-94(79)43-273-316(242,243)299-72-17-108(204-12-8-103(160)194-152(204)226)282-87(72)36-267-313(236,237)296-69-14-105(201-9-5-100(157)191-149(201)223)281-86(69)35-266-314(238,239)297-70-15-106(202-10-6-101(158)192-150(202)224)284-89(70)38-269-320(250,251)303-76-21-112(288-85(76)34-264-311(231,232)233)209-56-183-120-128(161)169-49-176-135(120)209/h5-12,29-32,49-63,68-99,104-119,217H,13-28,33-48H2,1-4H3,(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(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)(H2,157,191,223)(H2,158,192,224)(H2,159,193,225)(H2,160,194,226)(H2,161,169,176)(H2,162,170,177)(H2,163,171,178)(H2,164,172,179)(H2,165,173,180)(H2,166,174,181)(H2,167,175,182)(H,197,218,227)(H,198,219,228)(H,199,220,229)(H,200,221,230)(H2,231,232,233)(H3,168,195,196,222)
- InChIKey
- XYPYOQICJZVIQR-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4911.8433 | 311.5 |
[M+Na]+ | 4933.8252 | 311.5 |
[M-H]- | 4909.8287 | 311.5 |
[M+NH4]+ | 4928.8698 | 311.5 |
[M+K]+ | 4949.7992 | 311.5 |
[M+H-H2O]+ | 4893.8333 | 311.5 |
[M+HCOO]- | 4955.8342 | 311.5 |
[M+CH3COO]- | 4969.8499 | 311.5 |
[M+Na-2H]- | 4931.8107 | 311.6 |
[M]+ | 4910.8355 | 311.5 |
[M]- | 4910.8365 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.