CID 16729332
            
    Fluorescein-5'-d(ggtttttgtgt)-3'
Structural Information
- Molecular Formula
 - C131H151N35O76P10S
 - SMILES
 - CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
 - InChI
 - InChI=1S/C131H151N35O76P10S/c1-50-28-156(124(183)149-108(50)170)88-17-64(169)77(222-88)36-211-243(190,191)240-74-25-96(164-47-137-101-105(164)142-121(133)146-116(101)178)230-85(74)44-219-249(202,203)239-73-23-94(162-34-56(7)114(176)155-130(162)189)229-84(73)42-217-252(208,209)242-76-27-98(166-49-139-103-107(166)144-123(135)148-118(103)180)232-87(76)45-220-250(204,205)238-72-22-93(161-33-55(6)113(175)154-129(161)188)227-82(72)40-215-247(198,199)236-70-20-91(159-31-53(4)111(173)152-127(159)186)225-80(70)38-213-245(194,195)234-68-18-89(157-29-51(2)109(171)150-125(157)184)224-79(68)37-212-246(196,197)235-69-19-90(158-30-52(3)110(172)151-126(158)185)226-81(69)39-214-248(200,201)237-71-21-92(160-32-54(5)112(174)153-128(160)187)228-83(71)41-216-251(206,207)241-75-26-97(165-48-138-102-106(165)143-122(134)147-117(102)179)231-86(75)43-218-244(192,193)233-67-24-95(163-46-136-100-104(163)141-120(132)145-115(100)177)223-78(67)35-210-131(253)140-57-8-11-60(63(14-57)119(181)182)99-61-12-9-58(167)15-65(61)221-66-16-59(168)10-13-62(66)99/h8-16,28-34,46-49,64,67-98,167,169H,17-27,35-45H2,1-7H3,(H,140,253)(H,181,182)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,149,170,183)(H,150,171,184)(H,151,172,185)(H,152,173,186)(H,153,174,187)(H,154,175,188)(H,155,176,189)(H3,132,141,145,177)(H3,133,142,146,178)(H3,134,143,147,179)(H3,135,144,148,180)/t64-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+/m0/s1
 - InChIKey
 - WCWYIAIKCKWTPO-YWYHBZIESA-N
 - Compound name
 - 5-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]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]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]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]methoxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
 - Related CIDs
 
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) | 
|---|---|---|
| [M+H]+ | 3772.6196 | 305.0 | 
| [M+Na]+ | 3794.6015 | 307.2 | 
| [M-H]- | 3770.6050 | 306.0 | 
| [M+NH4]+ | 3789.6461 | 305.9 | 
| [M+K]+ | 3810.5755 | 305.6 | 
| [M+H-H2O]+ | 3754.6096 | 304.3 | 
| [M+HCOO]- | 3816.6105 | 305.9 | 
| [M+CH3COO]- | 3830.6262 | 306.0 | 
| [M+Na-2H]- | 3792.5870 | 308.6 | 
| [M]+ | 3771.6118 | 306.5 | 
| [M]- | 3771.6128 | 306.5 | 
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.