CID 16130132
(da)20-[arabino-amp]
Structural Information
- Molecular Formula
- C210H273N45O144P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)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=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=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=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=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=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=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)O
- InChI
- InChI=1S/C210H273N45O144P20/c1-84-41-235(191(279)215-170(84)259)145-21-104(124(61-256)359-145)380-400(299,300)339-62-125-105(22-146(360-125)236-42-85(2)171(260)216-192(236)280)381-401(301,302)340-63-126-106(23-147(361-126)237-43-86(3)172(261)217-193(237)281)382-402(303,304)341-64-127-107(24-148(362-127)238-44-87(4)173(262)218-194(238)282)383-403(305,306)342-65-128-108(25-149(363-128)239-45-88(5)174(263)219-195(239)283)384-404(307,308)343-66-129-109(26-150(364-129)240-46-89(6)175(264)220-196(240)284)385-405(309,310)344-67-130-110(27-151(365-130)241-47-90(7)176(265)221-197(241)285)386-406(311,312)345-68-131-111(28-152(366-131)242-48-91(8)177(266)222-198(242)286)387-407(313,314)346-69-132-112(29-153(367-132)243-49-92(9)178(267)223-199(243)287)388-408(315,316)347-70-133-113(30-154(368-133)244-50-93(10)179(268)224-200(244)288)389-409(317,318)348-71-134-114(31-155(369-134)245-51-94(11)180(269)225-201(245)289)390-410(319,320)349-72-135-115(32-156(370-135)246-52-95(12)181(270)226-202(246)290)391-411(321,322)350-73-136-116(33-157(371-136)247-53-96(13)182(271)227-203(247)291)392-412(323,324)351-74-137-117(34-158(372-137)248-54-97(14)183(272)228-204(248)292)393-413(325,326)352-75-138-118(35-159(373-138)249-55-98(15)184(273)229-205(249)293)394-414(327,328)353-76-139-119(36-160(374-139)250-56-99(16)185(274)230-206(250)294)395-415(329,330)354-77-140-120(37-161(375-140)251-57-100(17)186(275)231-207(251)295)396-416(331,332)355-78-141-121(38-162(376-141)252-58-101(18)187(276)232-208(252)296)397-417(333,334)356-79-142-122(39-163(377-142)253-59-102(19)188(277)233-209(253)297)398-418(335,336)357-80-143-123(40-164(378-143)254-60-103(20)189(278)234-210(254)298)399-419(337,338)358-81-144-166(257)167(258)190(379-144)255-83-214-165-168(211)212-82-213-169(165)255/h41-60,82-83,104-164,166-167,190,256-258H,21-40,61-81H2,1-20H3,(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H2,211,212,213)(H,215,259,279)(H,216,260,280)(H,217,261,281)(H,218,262,282)(H,219,263,283)(H,220,264,284)(H,221,265,285)(H,222,266,286)(H,223,267,287)(H,224,268,288)(H,225,269,289)(H,226,270,290)(H,227,271,291)(H,228,272,292)(H,229,273,293)(H,230,274,294)(H,231,275,295)(H,232,276,296)(H,233,277,297)(H,234,278,298)
- InChIKey
- RSQMGYALHGYSMS-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-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]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]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]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]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6349.0249 | 311.6 |
[M+Na]+ | 6371.0068 | 311.6 |
[M-H]- | 6347.0103 | 311.6 |
[M+NH4]+ | 6366.0514 | 311.6 |
[M+K]+ | 6386.9808 | 311.6 |
[M+H-H2O]+ | 6331.0149 | 311.6 |
[M+HCOO]- | 6393.0158 | 311.6 |
[M+CH3COO]- | 6407.0315 | 311.6 |
[M+Na-2H]- | 6368.9923 | 311.6 |
[M]+ | 6348.0171 | 311.6 |
[M]- | 6348.0181 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.