CID 16197299
Cttgatgccccagactgt
Structural Information
- Molecular Formula
- C174H223N63O111P18
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)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=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C174H223N63O111P18/c1-69-36-226(170(254)215-151(69)239)116-18-74(238)92(314-116)41-297-350(262,263)342-88-32-130(234-65-197-137-147(234)207-160(184)211-156(137)244)328-106(88)55-310-358(278,279)339-82-26-124(228-38-71(3)153(241)217-172(228)256)322-100(82)49-304-355(272,273)336-79-23-121(224-16-10-114(179)205-168(224)252)319-97(79)46-301-361(284,285)343-85-29-127(231-62-194-134-141(181)188-59-191-144(134)231)326-104(85)53-308-366(294,295)348-91-35-133(237-68-200-140-150(237)210-163(187)214-159(140)247)331-109(91)58-313-364(290,291)345-87-31-129(233-64-196-136-143(183)190-61-193-146(136)233)325-103(87)52-307-356(274,275)337-80-24-122(225-17-11-115(180)206-169(225)253)318-96(80)45-300-353(268,269)334-77-21-119(222-14-8-112(177)203-166(222)250)316-94(77)43-298-352(266,267)333-76-20-118(221-13-7-111(176)202-165(221)249)317-95(76)44-299-354(270,271)335-78-22-120(223-15-9-113(178)204-167(223)251)320-98(78)47-302-362(286,287)346-89-33-131(235-66-198-138-148(235)208-161(185)212-157(138)245)329-107(89)56-311-360(282,283)341-84-28-126(230-40-73(5)155(243)219-174(230)258)324-102(84)51-306-363(288,289)344-86-30-128(232-63-195-135-142(182)189-60-192-145(135)232)327-105(86)54-309-365(292,293)347-90-34-132(236-67-199-139-149(236)209-162(186)213-158(139)246)330-108(90)57-312-359(280,281)340-83-27-125(229-39-72(4)154(242)218-173(229)257)323-101(83)50-305-357(276,277)338-81-25-123(227-37-70(2)152(240)216-171(227)255)321-99(81)48-303-351(264,265)332-75-19-117(220-12-6-110(175)201-164(220)248)315-93(75)42-296-349(259,260)261/h6-17,36-40,59-68,74-109,116-133,238H,18-35,41-58H2,1-5H3,(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H2,175,201,248)(H2,176,202,249)(H2,177,203,250)(H2,178,204,251)(H2,179,205,252)(H2,180,206,253)(H2,181,188,191)(H2,182,189,192)(H2,183,190,193)(H,215,239,254)(H,216,240,255)(H,217,241,256)(H,218,242,257)(H,219,243,258)(H2,259,260,261)(H3,184,207,211,244)(H3,185,208,212,245)(H3,186,209,213,246)(H3,187,210,214,247)
- InChIKey
- YGCMQMCVPGQTDH-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)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-(6-aminopurin-9-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-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] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5528.9093 | 311.6 |
[M+Na]+ | 5550.8912 | 311.6 |
[M-H]- | 5526.8947 | 311.6 |
[M+NH4]+ | 5545.9358 | 311.6 |
[M+K]+ | 5566.8652 | 311.6 |
[M+H-H2O]+ | 5510.8993 | 311.6 |
[M+HCOO]- | 5572.9002 | 311.6 |
[M+CH3COO]- | 5586.9159 | 311.6 |
[M+Na-2H]- | 5548.8767 | 311.6 |
[M]+ | 5527.9015 | 311.6 |
[M]- | 5527.9025 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.